N-[3-(4-bromophenyl)-2-chloropropyl]-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
Chemical Structure Depiction of
N-[3-(4-bromophenyl)-2-chloropropyl]-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
N-[3-(4-bromophenyl)-2-chloropropyl]-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea
Compound characteristics
| Compound ID: | 1499-1022 |
| Compound Name: | N-[3-(4-bromophenyl)-2-chloropropyl]-N'-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)thiourea |
| Molecular Weight: | 493.85 |
| Molecular Formula: | C21 H22 Br Cl N4 O S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(NCC(Cc1ccc(cc1)[Br])[Cl])=S |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.965 |
| logD: | 3.9647 |
| logSw: | -4.0603 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 40.764 |
| InChI Key: | BWNVPIPTLIQUFF-KRWDZBQOSA-N |