N-(2-ethoxyphenyl)-2-{[(pyridin-4-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
N-(2-ethoxyphenyl)-2-{[(pyridin-4-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
N-(2-ethoxyphenyl)-2-{[(pyridin-4-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | K801-0686 |
| Compound Name: | N-(2-ethoxyphenyl)-2-{[(pyridin-4-yl)methyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| Molecular Weight: | 421.56 |
| Molecular Formula: | C24 H27 N3 O2 S |
| Smiles: | CCOc1ccccc1NC(c1c2CCCCCc2sc1NCc1ccncc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7745 |
| logD: | 4.7722 |
| logSw: | -4.4572 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 49.551 |
| InChI Key: | NBVPYQRIYJXACF-UHFFFAOYSA-N |