2-{[(3,4-dimethoxyphenyl)methyl]amino}-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-{[(3,4-dimethoxyphenyl)methyl]amino}-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
2-{[(3,4-dimethoxyphenyl)methyl]amino}-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | K801-0662 |
| Compound Name: | 2-{[(3,4-dimethoxyphenyl)methyl]amino}-N-(4-methoxyphenyl)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C26 H30 N2 O4 S |
| Smiles: | COc1ccc(cc1)NC(c1c2CCCCCc2sc1NCc1ccc(c(c1)OC)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3555 |
| logD: | 5.3555 |
| logSw: | -5.4006 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 56.415 |
| InChI Key: | JBMIPSXLOJIPKV-UHFFFAOYSA-N |