AC1MQ3IB
2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-tert-butyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one
Also Known As: 2-((benzo[d][1,3]dioxol-5-ylmethyl)thio)-7-(tert-butyl)-3-(m-tolyl)-5,6,7,8-tetrahydrobenzo[4,5]thieno[2,3-d]pyrimidin-4(3H)-one|2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-tert-butyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one|2-[(1,3-benzodioxol-5-ylmethyl)sulfanyl]-7-tert-butyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-4(3H)-one
| Molecular Formula | C29H30N2O3S2 |
|---|---|
| Molecular Weight | 518.1698 g/mol |
| LogP | 6.92762 |
| Topological Polar Surface Area | 53.35 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 518.1698 |
| Monoisotopic Mass | 518.1698 |
| Heavy Atoms | 36 |
| Complexity | 1530.2872 |
Chemical Identifiers
| CAS Number | 836632-07-6 |
|---|---|
| SMILES | CC1=CC(=CC=C1)N2C(=O)C3=C(N=C2SCC4=CC5=C(C=C4)OCO5)SC6=C3CCC(C6)C(C)(C)C |
Product Overview
AC1MQ3IB (CAS 836632-07-6), with molecular formula C29H30N2O3S2 and molecular weight 518.1698 g/mol. IUPAC: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-7-tert-butyl-3-(3-methylphenyl)-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-4-one.
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