N-(2-bromo-4-methylphenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(2-bromo-4-methylphenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
N-(2-bromo-4-methylphenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | G849-0067 |
| Compound Name: | N-(2-bromo-4-methylphenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 506.42 |
| Molecular Formula: | C22 H24 Br N3 O4 S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CCNS(c1ccc2c(CCN2C(C2CC2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4677 |
| logD: | 3.4675 |
| logSw: | -3.9164 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.492 |
| InChI Key: | XEIAAJWWTGNQTQ-UHFFFAOYSA-N |