N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0759 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(6-ethoxy-1,3-benzothiazol-2-yl)-beta-alaninamide |
| Molecular Weight: | 488.58 |
| Molecular Formula: | C22 H24 N4 O5 S2 |
| Smiles: | CCOc1ccc2c(c1)sc(NC(CCNS(c1ccc3c(CCN3C(C)=O)c1)(=O)=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 3.0889 |
| logD: | 3.0887 |
| logSw: | -3.6057 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.291 |
| InChI Key: | AIKLKQFSPPOHLH-UHFFFAOYSA-N |