N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide
Compound characteristics
| Compound ID: | G849-0077 |
| Compound Name: | N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-[3-(methylsulfanyl)phenyl]-beta-alaninamide |
| Molecular Weight: | 459.59 |
| Molecular Formula: | C22 H25 N3 O4 S2 |
| Smiles: | CSc1cccc(c1)NC(CCNS(c1ccc2c(CCN2C(C2CC2)=O)c1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1473 |
| logD: | 3.1471 |
| logSw: | -3.6517 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.189 |
| InChI Key: | LMAQFEIZCNGPJS-UHFFFAOYSA-N |