N-(4-methoxyphenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(4-methoxyphenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(4-methoxyphenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-2384 |
| Compound Name: | N-(4-methoxyphenyl)-3-(3-methyl-4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 434.53 |
| Molecular Formula: | C20 H22 N2 O5 S2 |
| Smiles: | CC1CSc2ccc(cc2NC1=O)S(CCC(Nc1ccc(cc1)OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4217 |
| logD: | 2.4215 |
| logSw: | -3.02 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.905 |
| InChI Key: | XECLPYDPTYGNPJ-CYBMUJFWSA-N |