N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-chloro-4-methoxyphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-chloro-4-methoxyphenyl)-beta-alaninamide
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-chloro-4-methoxyphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E570-2306 |
| Compound Name: | N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(3-chloro-4-methoxyphenyl)-beta-alaninamide |
| Molecular Weight: | 465.95 |
| Molecular Formula: | C21 H24 Cl N3 O5 S |
| Smiles: | CC1Cc2cc(ccc2N1C(C)=O)S(NCCC(Nc1ccc(c(c1)[Cl])OC)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.739 |
| logD: | 2.7368 |
| logSw: | -3.5146 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.975 |
| InChI Key: | PSMCPQFNXLUHKJ-CYBMUJFWSA-N |