2-{[1-(4-bromophenyl)cyclopentane-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{[1-(4-bromophenyl)cyclopentane-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{[1-(4-bromophenyl)cyclopentane-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | J029-0101 |
| Compound Name: | 2-{[1-(4-bromophenyl)cyclopentane-1-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 447.39 |
| Molecular Formula: | C21 H23 Br N2 O2 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(C1(CCCC1)c1ccc(cc1)[Br])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.1531 |
| logD: | 2.5676 |
| logSw: | -4.6356 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 57.39 |
| InChI Key: | VKPHFVJTGOBAAY-UHFFFAOYSA-N |