5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0156 |
| Compound Name: | 5-chloro-N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-{[(3-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 455 |
| Molecular Formula: | C22 H19 Cl N4 O S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCc1cccc(C)c1)[Cl])=O)c1c(C#N)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.1245 |
| logD: | 2.308 |
| logSw: | -6.1998 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.415 |
| InChI Key: | CZCCPRSIIZHVAA-UHFFFAOYSA-N |