N-(2-ethyl-6-methylphenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(2-ethyl-6-methylphenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(2-ethyl-6-methylphenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0866 |
| Compound Name: | N-(2-ethyl-6-methylphenyl)-2-[3-methyl-7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 517.67 |
| Molecular Formula: | C25 H31 N3 O5 S2 |
| Smiles: | CCc1cccc(C)c1NC(CN1C(C(C)CSc2ccc(cc12)S(N1CCOCC1)(=O)=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.5881 |
| logD: | 3.5881 |
| logSw: | -3.829 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.045 |
| InChI Key: | BRXAOULAKWQTQS-GOSISDBHSA-N |