N-(2H-1,3-benzodioxol-5-yl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
N-(2H-1,3-benzodioxol-5-yl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | G849-0083 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-N~3~-[1-(cyclopropanecarbonyl)-2,3-dihydro-1H-indole-5-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 457.5 |
| Molecular Formula: | C22 H23 N3 O6 S |
| Smiles: | C(CNS(c1ccc2c(CCN2C(C2CC2)=O)c1)(=O)=O)C(Nc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5194 |
| logD: | 2.5192 |
| logSw: | -3.113 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 98.305 |
| InChI Key: | IUEWUTAOJOCAOA-UHFFFAOYSA-N |