N-{4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]-2-methylphenyl}benzamide
Chemical Structure Depiction of
N-{4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]-2-methylphenyl}benzamide
N-{4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]-2-methylphenyl}benzamide
Compound characteristics
| Compound ID: | G269-0010 |
| Compound Name: | N-{4-[(5-acetyl-2,3,4,5-tetrahydro-1,5-benzothiazepine-7-sulfonyl)amino]-2-methylphenyl}benzamide |
| Molecular Weight: | 495.62 |
| Molecular Formula: | C25 H25 N3 O4 S2 |
| Smiles: | CC(N1CCCSc2ccc(cc12)S(Nc1ccc(c(C)c1)NC(c1ccccc1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1126 |
| logD: | 4.0917 |
| logSw: | -4.0881 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.665 |
| InChI Key: | SWMYZEKGJDWXQK-UHFFFAOYSA-N |