N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[3-(methylsulfanyl)phenyl]thiourea
Chemical Structure Depiction of
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[3-(methylsulfanyl)phenyl]thiourea
N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[3-(methylsulfanyl)phenyl]thiourea
Compound characteristics
| Compound ID: | C270-0077 |
| Compound Name: | N-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-N'-[3-(methylsulfanyl)phenyl]thiourea |
| Molecular Weight: | 384.52 |
| Molecular Formula: | C19 H20 N4 O S2 |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)NC(Nc1cccc(c1)SC)=S |
| Stereo: | ACHIRAL |
| logP: | 2.9022 |
| logD: | 2.9018 |
| logSw: | -3.4584 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 39.442 |
| InChI Key: | MKSJNWWWQOHETA-UHFFFAOYSA-N |