N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-beta-alaninamide
Compound characteristics
| Compound ID: | C450-1000 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-[2-(3,4-diethoxyphenyl)ethyl]-beta-alaninamide |
| Molecular Weight: | 503.62 |
| Molecular Formula: | C25 H33 N3 O6 S |
| Smiles: | CCOc1ccc(CCNC(CCNS(c2ccc3c(CCN3C(C)=O)c2)(=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 1.3584 |
| logD: | 1.3583 |
| logSw: | -2.575 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.99 |
| InChI Key: | AJJFWUFJZBDXSA-UHFFFAOYSA-N |