N-[(3-bromophenyl)methyl]-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-[(3-bromophenyl)methyl]-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-[(3-bromophenyl)methyl]-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-1521 |
| Compound Name: | N-[(3-bromophenyl)methyl]-3-(2-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 497.43 |
| Molecular Formula: | C20 H21 Br N2 O4 S2 |
| Smiles: | CC1CC(Nc2cc(ccc2S1)S(CCC(NCc1cccc(c1)[Br])=O)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6873 |
| logD: | 2.6871 |
| logSw: | -3.2249 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.627 |
| InChI Key: | NEHASLIEFJIPON-CYBMUJFWSA-N |