N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(5-chloro-2-methoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(5-chloro-2-methoxyphenyl)-beta-alaninamide
N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(5-chloro-2-methoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C450-0920 |
| Compound Name: | N~3~-(1-acetyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(5-chloro-2-methoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 451.93 |
| Molecular Formula: | C20 H22 Cl N3 O5 S |
| Smiles: | CC(N1CCc2cc(ccc12)S(NCCC(Nc1cc(ccc1OC)[Cl])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.128 |
| logD: | 2.1001 |
| logSw: | -3.2404 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 88.338 |
| InChI Key: | OIGZQVXUVAQELQ-UHFFFAOYSA-N |