AC1LQV3A
12,12-dimethyl-4-(3-methylphenyl)-5-propan-2-ylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one
Also Known As: 2-(ISOPROPYLSULFANYL)-6,6-DIMETHYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE|2-(isopropylthio)-6,6-dimethyl-3-(m-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one|6,6-dimethyl-3-(3-methylphenyl)-2-(propan-2-ylsulfanyl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one
| Molecular Formula | C21H24N2O2S2 |
|---|---|
| Molecular Weight | 400.12793 g/mol |
| LogP | 5.10742 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 400.12793 |
| Monoisotopic Mass | 400.12793 |
| Heavy Atoms | 27 |
| Complexity | 1079.7106 |
Chemical Identifiers
| CAS Number | 385393-75-9 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SC(C)C)SC4=C3CC(OC4)(C)C |
Product Overview
AC1LQV3A (CAS 385393-75-9), with molecular formula C21H24N2O2S2 and molecular weight 400.12793 g/mol. IUPAC: 12,12-dimethyl-4-(3-methylphenyl)-5-propan-2-ylsulfanyl-11-oxa-8-thia-4,6-diazatricyclo[7.4.0.02,7]trideca-1(9),2(7),5-trien-3-one.
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