N-{2-[benzyl(ethyl)amino]ethyl}-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
N-{2-[benzyl(ethyl)amino]ethyl}-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
N-{2-[benzyl(ethyl)amino]ethyl}-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G008-3456 |
| Compound Name: | N-{2-[benzyl(ethyl)amino]ethyl}-3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 433.59 |
| Molecular Formula: | C21 H27 N3 O3 S2 |
| Smiles: | CCN(CCNS(c1ccc2c(c1)NC(C(C)CS2)=O)(=O)=O)Cc1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4578 |
| logD: | 3.2853 |
| logSw: | -3.7617 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.733 |
| InChI Key: | UXICNIHCEAJVIP-MRXNPFEDSA-N |