N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-[(3-methylphenyl)methyl]-beta-alaninamide
Chemical Structure Depiction of
N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-[(3-methylphenyl)methyl]-beta-alaninamide
N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-[(3-methylphenyl)methyl]-beta-alaninamide
Compound characteristics
| Compound ID: | G849-0145 |
| Compound Name: | N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-N-[(3-methylphenyl)methyl]-beta-alaninamide |
| Molecular Weight: | 441.55 |
| Molecular Formula: | C23 H27 N3 O4 S |
| Smiles: | Cc1cccc(CNC(CCNS(c2ccc3c(CCN3C(C3CC3)=O)c2)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0751 |
| logD: | 3.075 |
| logSw: | -3.5155 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.512 |
| InChI Key: | AZTWOXSULNLASN-UHFFFAOYSA-N |