N-(4-bromo-2-fluorophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(4-bromo-2-fluorophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
N-(4-bromo-2-fluorophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | G849-0048 |
| Compound Name: | N-(4-bromo-2-fluorophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 510.38 |
| Molecular Formula: | C21 H21 Br F N3 O4 S |
| Smiles: | C(CNS(c1ccc2c(CCN2C(C2CC2)=O)c1)(=O)=O)C(Nc1ccc(cc1F)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.3668 |
| logD: | 3.3057 |
| logSw: | -3.8342 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.492 |
| InChI Key: | RDBLQQLIPMPHCB-UHFFFAOYSA-N |