AC1MX7NT
3-benzyl-7-tert-butyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: SR-01000430455-1|3-benzyl-7-tert-butyl-2-{[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl}-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one|3-benzyl-7-(tert-butyl)-2-((2-(4-chlorophenyl)-2-oxoethyl)thio)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|3-BENZYL-7-(TERT-BUTYL)-2-{[2-(4-CHLOROPHENYL)-2-OXOETHYL]SULFANYL}-5,6,7,8-TETRAHYDRO[1]BENZOTHIENO[2,3-D]PYRIMIDIN-4(3H)-ONE|3-benzyl-7-tert-butyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
| Molecular Formula | C29H29ClN2O2S2 |
|---|---|
| Molecular Weight | 536.1359 g/mol |
| LogP | 7.2857 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 536.1359 |
| Monoisotopic Mass | 536.1359 |
| Heavy Atoms | 36 |
| Complexity | 1467.9243 |
Chemical Identifiers
| CAS Number | 313702-58-8 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC(=O)C4=CC=C(C=C4)Cl)CC5=CC=CC=C5 |
Product Overview
AC1MX7NT (CAS 313702-58-8), with molecular formula C29H29ClN2O2S2 and molecular weight 536.1359 g/mol. IUPAC: 3-benzyl-7-tert-butyl-2-[2-(4-chlorophenyl)-2-oxoethyl]sulfanyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
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