N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(3,5-difluorobenzoyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(3,5-difluorobenzoyl)piperidine-3-carboxamide
N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(3,5-difluorobenzoyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | D216-0552 |
| Compound Name: | N-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-1-(3,5-difluorobenzoyl)piperidine-3-carboxamide |
| Molecular Weight: | 447.5 |
| Molecular Formula: | C22 H23 F2 N3 O3 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(C1CCCN(C1)C(c1cc(cc(c1)F)F)=O)=O)s2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0585 |
| logD: | 1.2194 |
| logSw: | -2.8027 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 73.685 |
| InChI Key: | JLIGWMBLXIFACM-LBPRGKRZSA-N |