AC1MXDP3
methyl 2-[(3-amino-10,12-diphenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetate
Also Known As: (4-Amino-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-ylsulfanyl)-acetic acid methyl ester|methyl [(4-amino-6,8-diphenyl-5,8-dihydro-6H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)sulfanyl]acetate|methyl 2-((4-amino-6,8-diphenyl-6,8-dihydro-5H-thiopyrano[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)thio)acetate
| Molecular Formula | C24H21N3O2S3 |
|---|---|
| Molecular Weight | 479.0796 g/mol |
| LogP | 5.6586 |
| Topological Polar Surface Area | 78.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 479.0796 |
| Monoisotopic Mass | 479.0796 |
| Heavy Atoms | 32 |
| Complexity | 1261.9758 |
Chemical Identifiers
| CAS Number | 836632-06-5 |
|---|---|
| SMILES | COC(=O)CSC1=NC(=C2C3=C(C(SC(C3)C4=CC=CC=C4)C5=CC=CC=C5)SC2=N1)N |
Product Overview
AC1MXDP3 (CAS 836632-06-5), with molecular formula C24H21N3O2S3 and molecular weight 479.0796 g/mol. IUPAC: methyl 2-[(3-amino-10,12-diphenyl-8,11-dithia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2,4,6-tetraen-5-yl)sulfanyl]acetate.
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