N-[(4-bromophenyl)methyl]-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-[(4-bromophenyl)methyl]-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
N-[(4-bromophenyl)methyl]-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | G849-0147 |
| Compound Name: | N-[(4-bromophenyl)methyl]-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: | C(CNS(c1ccc2c(CCN2C(C2CC2)=O)c1)(=O)=O)C(NCc1ccc(cc1)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.2205 |
| logD: | 3.2204 |
| logSw: | -3.6168 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.512 |
| InChI Key: | UTUQONWIZVQCHV-UHFFFAOYSA-N |