2-(piperidine-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-(piperidine-1-carbonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide
2-(piperidine-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: | T408-2094 |
| Compound Name: | 2-(piperidine-1-carbonyl)-N-[(1,3,5-trimethyl-1H-pyrazol-4-yl)methyl]-4,5,6,7-tetrahydro-1-benzothiophene-5-carboxamide |
| Molecular Weight: | 414.57 |
| Molecular Formula: | C22 H30 N4 O2 S |
| Smiles: | Cc1c(CNC(C2CCc3c(C2)cc(C(N2CCCCC2)=O)s3)=O)c(C)n(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4477 |
| logD: | 2.4476 |
| logSw: | -2.6517 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.078 |
| InChI Key: | WGCXSIMAPONTHJ-MRXNPFEDSA-N |