N-(5-chloro-2-methoxyphenyl)-2-{[(pyridin-4-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[(pyridin-4-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
N-(5-chloro-2-methoxyphenyl)-2-{[(pyridin-4-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | K801-0413 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[(pyridin-4-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 427.95 |
| Molecular Formula: | C22 H22 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1NC(c1c2CCCCc2sc1NCc1ccncc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.3568 |
| logD: | 4.3448 |
| logSw: | -4.8972 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.64 |
| InChI Key: | UDJUUOKVVUQORR-UHFFFAOYSA-N |