AC1N9YXB
5-butylsulfanyl-4-(3-methylphenyl)-12-propan-2-yl-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-(butylsulfanyl)-3-(3-methylphenyl)-6-(propan-2-yl)-3,5,6,8-tetrahydro-4H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4-one|2-(BUTYLSULFANYL)-6-ISOPROPYL-3-(3-METHYLPHENYL)-3,5,6,8-TETRAHYDRO-4H-PYRANO[4',3':4,5]THIENO[2,3-D]PYRIMIDIN-4-ONE|2-(butylthio)-6-isopropyl-3-(m-tolyl)-5,6-dihydro-3H-pyrano[4',3':4,5]thieno[2,3-d]pyrimidin-4(8H)-one
| Molecular Formula | C23H28N2O2S2 |
|---|---|
| Molecular Weight | 428.1592 g/mol |
| LogP | 5.74512 |
| Topological Polar Surface Area | 44.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 428.1592 |
| Monoisotopic Mass | 428.1592 |
| Heavy Atoms | 29 |
| Complexity | 1084.4067 |
Chemical Identifiers
| CAS Number | 384366-61-4 |
|---|---|
| SMILES | CCCCSC1=NC2=C(C3=C(S2)COC(C3)C(C)C)C(=O)N1C4=CC=CC(=C4)C |
Product Overview
AC1N9YXB (CAS 384366-61-4), with molecular formula C23H28N2O2S2 and molecular weight 428.1592 g/mol. IUPAC: 5-butylsulfanyl-4-(3-methylphenyl)-12-propan-2-yl-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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