N-{4-chloro-1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-N'-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)thiourea
Chemical Structure Depiction of
N-{4-chloro-1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-N'-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)thiourea
N-{4-chloro-1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-N'-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)thiourea
Compound characteristics
| Compound ID: | Y501-5824 |
| Compound Name: | N-{4-chloro-1-[(2,4-dichlorophenyl)methyl]-1H-pyrazol-3-yl}-N'-(4-methyl-2-oxo-2H-1-benzopyran-7-yl)thiourea |
| Molecular Weight: | 493.8 |
| Molecular Formula: | C21 H15 Cl3 N4 O2 S |
| Smiles: | CC1=CC(=O)Oc2cc(ccc12)NC(Nc1c(cn(Cc2ccc(cc2[Cl])[Cl])n1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.734 |
| logD: | 5.7337 |
| logSw: | -5.86 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 54.39 |
| InChI Key: | MXHPTFWNYOFNQL-UHFFFAOYSA-N |