AC1LJZ7E
N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide
Also Known As: ChemDiv1_008897|Oprea1_222211|HMS612E09|AF-399/15031098|N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide|SR-01000477067-1|2-[(3-allyl-4-oxo-3,4,5,6,7,8-hexahydro[1]benzothieno[2,3-d]pyrimidin-2-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide|N-(2H-1,3-benzodioxol-5-ylmethyl)-2-{[3-oxo-4-(prop-2-en-1-yl)-8-thia-4,6-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),5-trien-5-yl]sulfanyl}acetamide|N-(2H-benzo[3,4-d]1,3-dioxolan-5-ylmethyl)-2-(4-oxo-3-prop-2-enyl(3,5,6,7,8-pe ntahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio))acetamide
| Molecular Formula | C23H23N3O4S2 |
|---|---|
| Molecular Weight | 469.113 g/mol |
| LogP | 3.66 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 469.113 |
| Monoisotopic Mass | 469.113 |
| Heavy Atoms | 32 |
| Complexity | 1264.3405 |
Chemical Identifiers
| CAS Number | 314261-75-1 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCC(=O)NCC3=CC4=C(C=C3)OCO4)SC5=C2CCCC5 |
Product Overview
AC1LJZ7E (CAS 314261-75-1), with molecular formula C23H23N3O4S2 and molecular weight 469.113 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-2-[(4-oxo-3-prop-2-enyl-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl)sulfanyl]acetamide.