Oprea1_712714
14-[2-(4-benzylphenyl)-2-oxoethyl]sulfanyl-4,4,12-trimethyl-5-oxa-8-thia-10,12,13,15-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one
Also Known As: Oprea1_712714|3-((2-(4-benzylphenyl)-2-oxoethyl)thio)-1,7,7-trimethyl-6,7-dihydro-1H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5(9H)-one|3-{[2-(4-benzylphenyl)-2-oxoethyl]sulfanyl}-1,7,7-trimethyl-1,6,7,9-tetrahydro-5H-pyrano[4',3':4,5]thieno[2,3-d][1,2,4]triazolo[4,3-a]pyrimidin-5-one
| Molecular Formula | C28H26N4O3S2 |
|---|---|
| Molecular Weight | 530.14465 g/mol |
| LogP | 5.0598 |
| Topological Polar Surface Area | 78.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 530.14465 |
| Monoisotopic Mass | 530.14465 |
| Heavy Atoms | 37 |
| Complexity | 1699.4363 |
Chemical Identifiers
| CAS Number | 369608-77-5 |
|---|---|
| SMILES | CC1(CC2=C(CO1)SC3=C2C(=O)N4C(=N3)N(N=C4SCC(=O)C5=CC=C(C=C5)CC6=CC=CC=C6)C)C |
Product Overview
Oprea1_712714 (CAS 369608-77-5), with molecular formula C28H26N4O3S2 and molecular weight 530.14465 g/mol. IUPAC: 14-[2-(4-benzylphenyl)-2-oxoethyl]sulfanyl-4,4,12-trimethyl-5-oxa-8-thia-10,12,13,15-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(9),2(7),10,13-tetraen-16-one.