N-cyclohexyl-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Chemical Structure Depiction of
N-cyclohexyl-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
N-cyclohexyl-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide
Compound characteristics
| Compound ID: | F535-0040 |
| Compound Name: | N-cyclohexyl-N~3~-[2,5-dimethyl-4-(pyrrolidine-1-carbonyl)-1H-pyrrole-3-sulfonyl]-beta-alaninamide |
| Molecular Weight: | 424.56 |
| Molecular Formula: | C20 H32 N4 O4 S |
| Smiles: | Cc1c(C(N2CCCC2)=O)c(c(C)[nH]1)S(NCCC(NC1CCCCC1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8075 |
| logD: | 1.8067 |
| logSw: | -2.3103 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 93.837 |
| InChI Key: | IFWZKPOMAGUPPM-UHFFFAOYSA-N |