2-(azepane-1-carbonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Chemical Structure Depiction of
2-(azepane-1-carbonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
2-(azepane-1-carbonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
Compound characteristics
| Compound ID: | T408-2160 |
| Compound Name: | 2-(azepane-1-carbonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 428.6 |
| Molecular Formula: | C23 H32 N4 O2 S |
| Smiles: | Cc1c(CNC(C2CCc3c(C2)cc(C(N2CCCCCC2)=O)s3)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.9436 |
| logD: | 2.9436 |
| logSw: | -3.2682 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.409 |
| InChI Key: | REARQAVJRSOYDU-QGZVFWFLSA-N |