N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(4-ethoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(4-ethoxyphenyl)-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(4-ethoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0826 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(4-ethoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C21 H25 N3 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CCNS(c1ccc2c(CCN2C(C)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2441 |
| logD: | 2.244 |
| logSw: | -2.9838 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.529 |
| InChI Key: | OBJROTLLFURYRL-UHFFFAOYSA-N |