5-acetyl-N-(2-ethylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-N-(2-ethylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-N-(2-ethylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0056 |
| Compound Name: | 5-acetyl-N-(2-ethylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 390.52 |
| Molecular Formula: | C19 H22 N2 O3 S2 |
| Smiles: | CCc1ccccc1NS(c1ccc2c(c1)N(CCCS2)C(C)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.858 |
| logD: | 3.8427 |
| logSw: | -3.8253 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.574 |
| InChI Key: | IVDXVMQFRJPVMO-UHFFFAOYSA-N |