N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0941 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(6-methyl-1,3-benzothiazol-2-yl)-beta-alaninamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C21 H22 N4 O4 S2 |
| Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(Nc1nc2ccc(C)cc2s1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0335 |
| logD: | 3.0333 |
| logSw: | -3.5383 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.167 |
| InChI Key: | MJEJPUVWUHGSHS-UHFFFAOYSA-N |