5-acetyl-2-methyl-N-(2,4,6-trimethylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Chemical Structure Depiction of
5-acetyl-2-methyl-N-(2,4,6-trimethylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
5-acetyl-2-methyl-N-(2,4,6-trimethylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide
Compound characteristics
| Compound ID: | G269-0995 |
| Compound Name: | 5-acetyl-2-methyl-N-(2,4,6-trimethylphenyl)-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonamide |
| Molecular Weight: | 418.58 |
| Molecular Formula: | C21 H26 N2 O3 S2 |
| Smiles: | CC1CCN(C(C)=O)c2cc(ccc2S1)S(Nc1c(C)cc(C)cc1C)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0762 |
| logD: | 3.9862 |
| logSw: | -4.1359 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.876 |
| InChI Key: | GGKZUEIBUUEMHO-MRXNPFEDSA-N |