N-(2-ethyl-6-methylphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(2-ethyl-6-methylphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0596 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-2-[3-methyl-4-oxo-7-(pyrrolidine-1-sulfonyl)-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 501.67 |
| Molecular Formula: | C25 H31 N3 O4 S2 |
| Smiles: | CCc1cccc(C)c1NC(CN1C(C(C)CSc2ccc(cc12)S(N1CCCC1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.247 |
| logD: | 4.247 |
| logSw: | -4.1847 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.503 |
| InChI Key: | OZLHADCRFWNGPH-GOSISDBHSA-N |