C28H25ClN4O2S2
N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
Also Known As: N-((1Z,3Z)-3-chloro-4-phenyl-1-azabuta-1,3-dienyl)-2-[3-(4-methylphenyl)-4-oxo (3,5,6,7,8-pentahydrobenzo[b]thiopheno[2,3-d]pyrimidin-2-ylthio)]acetamide|N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide
| Molecular Formula | C28H25ClN4O2S2 |
|---|---|
| Molecular Weight | 548.1107 g/mol |
| LogP | 6.10842 |
| Topological Polar Surface Area | 76.35 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 548.1107 |
| Monoisotopic Mass | 548.1107 |
| Heavy Atoms | 37 |
| Complexity | 1557.3478 |
Chemical Identifiers
| CAS Number | 613231-72-4 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)C3=C(N=C2SCC(=O)N/N=C\C(=C\C4=CC=CC=C4)\Cl)SC5=C3CCCC5 |
Product Overview
C28H25ClN4O2S2 (CAS 613231-72-4), with molecular formula C28H25ClN4O2S2 and molecular weight 548.1107 g/mol. IUPAC: N-[(Z)-[(Z)-2-chloro-3-phenylprop-2-enylidene]amino]-2-[[3-(4-methylphenyl)-4-oxo-5,6,7,8-tetrahydro-[1]benzothiolo[2,3-d]pyrimidin-2-yl]sulfanyl]acetamide.