N-(5-chloro-2-methoxyphenyl)-6-methyl-2-{[(pyridin-4-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-{[(pyridin-4-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-(5-chloro-2-methoxyphenyl)-6-methyl-2-{[(pyridin-4-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | K801-0567 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-6-methyl-2-{[(pyridin-4-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 441.98 |
| Molecular Formula: | C23 H24 Cl N3 O2 S |
| Smiles: | CC1CCc2c(C(Nc3cc(ccc3OC)[Cl])=O)c(NCc3ccncc3)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7908 |
| logD: | 4.7788 |
| logSw: | -5.0657 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.64 |
| InChI Key: | VTZYLLAZRHAKAF-CQSZACIVSA-N |