N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0151 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 476.55 |
| Molecular Formula: | C22 H28 N4 O6 S |
| Smiles: | Cc1c(C(N2CCCC2)=O)c(c(C)[nH]1)S(NCCC(Nc1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7355 |
| logD: | 0.7344 |
| logSw: | -2.3744 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.613 |
| InChI Key: | QSLJHCLQYPGZFR-UHFFFAOYSA-N |