N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2,5-diethoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2,5-diethoxyphenyl)-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2,5-diethoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0964 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(2,5-diethoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 475.56 |
| Molecular Formula: | C23 H29 N3 O6 S |
| Smiles: | CCOc1ccc(c(c1)NC(CCNS(c1ccc2c(CCN2C(C)=O)c1)(=O)=O)=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 2.3675 |
| logD: | 2.3641 |
| logSw: | -3.0212 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 95.042 |
| InChI Key: | MJVLMEPIKLBMEI-UHFFFAOYSA-N |