N-[(3,5-dimethoxyphenyl)methyl]-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide
Chemical Structure Depiction of
N-[(3,5-dimethoxyphenyl)methyl]-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide
N-[(3,5-dimethoxyphenyl)methyl]-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide
Compound characteristics
| Compound ID: | V014-2146 |
| Compound Name: | N-[(3,5-dimethoxyphenyl)methyl]-4-(2,4,5,6-tetrahydrobenzo[6,7]cyclohepta[1,2-c]pyrazol-3-yl)benzamide |
| Molecular Weight: | 453.54 |
| Molecular Formula: | C28 H27 N3 O3 |
| Salt: | not_available |
| Smiles: | COc1cc(CNC(c2ccc(cc2)c2c3CCCc4ccccc4c3n[nH]2)=O)cc(c1)OC |
| Stereo: | ACHIRAL |
| logP: | 5.5087 |
| logD: | 5.5087 |
| logSw: | -5.4005 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.841 |
| InChI Key: | BYWNYXUNSIULKO-UHFFFAOYSA-N |