N-(4-bromo-2-fluorophenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(4-bromo-2-fluorophenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0078 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 487.36 |
| Molecular Formula: | C18 H16 Br F N2 O4 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(CCC(Nc1ccc(cc1F)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4739 |
| logD: | 2.3927 |
| logSw: | -2.9607 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.606 |
| InChI Key: | QMWKHVRGXDSIIQ-UHFFFAOYSA-N |