N-(5-chloro-2-methoxyphenyl)-2-{[(pyridin-3-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-{[(pyridin-3-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
N-(5-chloro-2-methoxyphenyl)-2-{[(pyridin-3-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | K801-0705 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-{[(pyridin-3-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| Molecular Weight: | 441.98 |
| Molecular Formula: | C23 H24 Cl N3 O2 S |
| Smiles: | COc1ccc(cc1NC(c1c2CCCCCc2sc1NCc1cccnc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 4.9816 |
| logD: | 4.9616 |
| logSw: | -5.211 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.061 |
| InChI Key: | OUUBJCRSRJFGOH-UHFFFAOYSA-N |