N-(3-cyanophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(3-cyanophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
N-(3-cyanophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | G849-0085 |
| Compound Name: | N-(3-cyanophenyl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 438.5 |
| Molecular Formula: | C22 H22 N4 O4 S |
| Smiles: | C(CNS(c1ccc2c(CCN2C(C2CC2)=O)c1)(=O)=O)C(Nc1cccc(C#N)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5473 |
| logD: | 2.5464 |
| logSw: | -3.0685 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.246 |
| InChI Key: | CZKRAOLOZOYFQJ-UHFFFAOYSA-N |