N-[6-tert-butyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-chlorobenzamide
Chemical Structure Depiction of
N-[6-tert-butyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-chlorobenzamide
N-[6-tert-butyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-chlorobenzamide
Compound characteristics
| Compound ID: | 4488-1848 |
| Compound Name: | N-[6-tert-butyl-3-(pyrrolidine-1-carbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-4-chlorobenzamide |
| Molecular Weight: | 445.02 |
| Molecular Formula: | C24 H29 Cl N2 O2 S |
| Smiles: | CC(C)(C)C1CCc2c(C(N3CCCC3)=O)c(NC(c3ccc(cc3)[Cl])=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0555 |
| logD: | 2.4759 |
| logSw: | -6.3366 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.059 |
| InChI Key: | QJJWFLMLLMESOI-MRXNPFEDSA-N |