AC1N4MK3
N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-chlorophenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
Also Known As: F3394-1386|3-((3-allyl-5-(2-chlorophenyl)-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidin-2-yl)thio)-N-(4-(benzo[d]thiazol-2-yl)phenyl)propanamide|N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-chlorophenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide|N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-{[5-(2-chlorophenyl)-4-oxo-3-(prop-2-en-1-yl)-3H,4H-thieno[2,3-d]pyrimidin-2-yl]sulfanyl}propanamide|N-[p-(1,3-benzothiazol-2-yl)phenyl]3-[5-allyl-3-(o-chlorophenyl)-4-oxo-1-thia-5,7-diaza-4,5-dihydro-6-indenylthio]propionamide
| Molecular Formula | C31H23ClN4O2S3 |
|---|---|
| Molecular Weight | 614.06714 g/mol |
| LogP | 8.362 |
| Topological Polar Surface Area | 76.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 614.06714 |
| Monoisotopic Mass | 614.06714 |
| Heavy Atoms | 41 |
| Complexity | 1927.6008 |
Chemical Identifiers
| CAS Number | 690644-63-4 |
|---|---|
| SMILES | C=CCN1C(=O)C2=C(N=C1SCCC(=O)NC3=CC=C(C=C3)C4=NC5=CC=CC=C5S4)SC=C2C6=CC=CC=C6Cl |
Product Overview
AC1N4MK3 (CAS 690644-63-4), with molecular formula C31H23ClN4O2S3 and molecular weight 614.06714 g/mol. IUPAC: N-[4-(1,3-benzothiazol-2-yl)phenyl]-3-[5-(2-chlorophenyl)-4-oxo-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide.
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