5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0323 |
| Compound Name: | 5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(3-methylphenyl)methanesulfonyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 487 |
| Molecular Formula: | C22 H19 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)S(Cc1cccc(C)c1)(=O)=O)[Cl])=O)c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.934 |
| logD: | 0.0109 |
| logSw: | -5.0604 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.279 |
| InChI Key: | ZQMPFNSMBGPLKY-UHFFFAOYSA-N |