N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(4-bromo-3-methylphenyl)-beta-alaninamide
Chemical Structure Depiction of
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(4-bromo-3-methylphenyl)-beta-alaninamide
N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(4-bromo-3-methylphenyl)-beta-alaninamide
Compound characteristics
| Compound ID: | E570-2153 |
| Compound Name: | N~3~-(1-acetyl-2-methyl-2,3-dihydro-1H-indole-5-sulfonyl)-N-(4-bromo-3-methylphenyl)-beta-alaninamide |
| Molecular Weight: | 494.41 |
| Molecular Formula: | C21 H24 Br N3 O4 S |
| Smiles: | CC1Cc2cc(ccc2N1C(C)=O)S(NCCC(Nc1ccc(c(C)c1)[Br])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.4029 |
| logD: | 3.4024 |
| logSw: | -3.912 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.345 |
| InChI Key: | IBYUGEJICYQXLF-CQSZACIVSA-N |