N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[2,5-dimethyl-4-(piperidine-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-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0544 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N~3~-[2,5-dimethyl-4-(piperidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 490.58 |
| Molecular Formula: | C23 H30 N4 O6 S |
| Smiles: | Cc1c(C(N2CCCCC2)=O)c(c(C)[nH]1)S(NCCC(Nc1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0228 |
| logD: | 1.0216 |
| logSw: | -2.4013 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 108.247 |
| InChI Key: | YSVFGALBGQAHFJ-UHFFFAOYSA-N |