N-(2,6-dimethylphenyl)-2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(2,6-dimethylphenyl)-2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(2,6-dimethylphenyl)-2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0414 |
| Compound Name: | N-(2,6-dimethylphenyl)-2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 489.61 |
| Molecular Formula: | C23 H27 N3 O5 S2 |
| Smiles: | Cc1cccc(C)c1NC(CN1C(CCSc2ccc(cc12)S(N1CCOCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8528 |
| logD: | 2.8528 |
| logSw: | -3.2535 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.323 |
| InChI Key: | TUSJRTRNQUXCFN-UHFFFAOYSA-N |