2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Chemical Structure Depiction of
2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Compound characteristics
| Compound ID: | 6228-1364 |
| Compound Name: | 2-{3-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]benzamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide |
| Molecular Weight: | 456.99 |
| Molecular Formula: | C23 H25 Cl N4 O2 S |
| Smiles: | Cc1c(c(C)n(Cc2cccc(c2)C(Nc2c(C(N)=O)c3CCCCCc3s2)=O)n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.0887 |
| logD: | 0.9833 |
| logSw: | -4.1419 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.716 |
| InChI Key: | XSSPPNUVIRNBSF-UHFFFAOYSA-N |