N-[(3-bromophenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-[(3-bromophenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0342 |
| Compound Name: | N-[(3-bromophenyl)methyl]-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 483.4 |
| Molecular Formula: | C19 H19 Br N2 O4 S2 |
| Smiles: | C1CSc2ccc(cc2NC1=O)S(CCC(NCc1cccc(c1)[Br])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2466 |
| logD: | 2.2464 |
| logSw: | -2.8787 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.627 |
| InChI Key: | VGQUCJRGELPJKC-UHFFFAOYSA-N |