N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
Chemical Structure Depiction of
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea
Compound characteristics
| Compound ID: | Y502-5842 |
| Compound Name: | N-{3,5-dimethyl-1-[(2-methylphenyl)methyl]-1H-pyrazol-4-yl}-N'-[3-(2-oxopyrrolidin-1-yl)propyl]thiourea |
| Molecular Weight: | 399.56 |
| Molecular Formula: | C21 H29 N5 O S |
| Smiles: | Cc1ccccc1Cn1c(C)c(c(C)n1)NC(NCCCN1CCCC1=O)=S |
| Stereo: | ACHIRAL |
| logP: | 1.6444 |
| logD: | 1.6444 |
| logSw: | -2.3416 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.623 |
| InChI Key: | BNRUWMIKNAAPFJ-UHFFFAOYSA-N |