N-(3-methylphenyl)-2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Chemical Structure Depiction of
N-(3-methylphenyl)-2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
N-(3-methylphenyl)-2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide
Compound characteristics
| Compound ID: | G640-0404 |
| Compound Name: | N-(3-methylphenyl)-2-[7-(morpholine-4-sulfonyl)-4-oxo-3,4-dihydro-1,5-benzothiazepin-5(2H)-yl]acetamide |
| Molecular Weight: | 475.58 |
| Molecular Formula: | C22 H25 N3 O5 S2 |
| Smiles: | Cc1cccc(c1)NC(CN1C(CCSc2ccc(cc12)S(N1CCOCC1)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0281 |
| logD: | 3.0281 |
| logSw: | -3.4452 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.719 |
| InChI Key: | IATZARYRVXQUHH-UHFFFAOYSA-N |