N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-N'-(3-nitrophenyl)urea
Chemical Structure Depiction of
N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-N'-(3-nitrophenyl)urea
N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-N'-(3-nitrophenyl)urea
Compound characteristics
| Compound ID: | Y205-1540 |
| Compound Name: | N-{1-[(2-chloro-6-fluorophenyl)methyl]-3,5-dimethyl-1H-pyrazol-4-yl}-N'-(3-nitrophenyl)urea |
| Molecular Weight: | 417.83 |
| Molecular Formula: | C19 H17 Cl F N5 O3 |
| Smiles: | Cc1c(c(C)n(Cc2c(cccc2[Cl])F)n1)NC(Nc1cccc(c1)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9821 |
| logD: | 3.9816 |
| logSw: | -4.4109 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.809 |
| InChI Key: | BZKWCHSZSZIEAV-UHFFFAOYSA-N |