N-(4-bromo-2-methylphenyl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
N-(4-bromo-2-methylphenyl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide
Compound characteristics
| Compound ID: | C464-1465 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-N~3~-(1-propanoyl-2,3-dihydro-1H-indole-5-sulfonyl)-beta-alaninamide |
| Molecular Weight: | 494.41 |
| Molecular Formula: | C21 H24 Br N3 O4 S |
| Smiles: | CCC(N1CCc2cc(ccc12)S(NCCC(Nc1ccc(cc1C)[Br])=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3271 |
| logD: | 3.3256 |
| logSw: | -3.7325 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.713 |
| InChI Key: | RYCYMDAYWASDOL-UHFFFAOYSA-N |