TL;DR: Benzamide, N-(1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)-, compd. with tetrahydrofuran (1:1) (CAS 135718-60-4) is a chemical compound with molecular formula C27H29N3O2S2 and molecular weight 491.1701 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
oxolane;N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide
Also Known As: Benzamide, N-(1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)-, compd. with tetrahydrofuran (1:1), N-(4-Phenyl-2-sulfanyl-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)benzenecarboximidic acid--oxolane (1/1), oxolane; N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide, oxolane;N-(4-phenyl-2-sulfanylidene-1,4,5,6,7,8-hexahydro-[1]benzothiolo[2,3-d]pyrimidin-3-yl)benzamide
| Molecular Formula | C27H29N3O2S2 |
| Molecular Weight | 491.1701 g/mol |
| XLogP | 5.8705 |
| Topological Polar Surface Area (TPSA) | 114.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 491.1701 Da |
| Heavy Atoms | 34 |
| Complexity | 640.0 |
| SMILES | C1CCC2=C(C1)C3=C(S2)NC(=S)N(C3C4=CC=CC=C4)NC(=O)C5=CC=CC=C5.C1CCOC1 |
| InChIKey | FLBZKTJPXYOZNA-UHFFFAOYSA-N |
The XLogP value of 5.8705 indicates that Benzamide, N-(1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)-, compd. with tetrahydrofuran (1:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzamide, N-(1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)-, compd. with tetrahydrofuran (1:1). Following Lipinski's Rule of Five, Benzamide, N-(1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)-, compd. with tetrahydrofuran (1:1) has 2 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
The CAS number of Benzamide, N-(1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)-, compd. with tetrahydrofuran (1:1) is 135718-60-4.
The molecular formula of Benzamide, N-(1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)-, compd. with tetrahydrofuran (1:1) is C27H29N3O2S2.
The molecular weight of Benzamide, N-(1,4,5,6,7,8-hexahydro-4-phenyl-2-thioxo(1)benzothieno(2,3-d)pyrimidin-3(2H)-yl)-, compd. with tetrahydrofuran (1:1) is 491.1701 g/mol.
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