N-(5-chloro-2-methoxyphenyl)-2-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Chemical Structure Depiction of
N-(5-chloro-2-methoxyphenyl)-2-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
N-(5-chloro-2-methoxyphenyl)-2-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide
Compound characteristics
| Compound ID: | L705-0945 |
| Compound Name: | N-(5-chloro-2-methoxyphenyl)-2-methyl-3-(4-oxo-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)propanamide |
| Molecular Weight: | 468.98 |
| Molecular Formula: | C20 H21 Cl N2 O5 S2 |
| Smiles: | CC(CS(c1ccc2c(c1)NC(CCS2)=O)(=O)=O)C(Nc1cc(ccc1OC)[Cl])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.518 |
| logD: | 2.4529 |
| logSw: | -3.2921 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.45 |
| InChI Key: | DNHFBGHUFJCZDG-LBPRGKRZSA-N |