3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | C270-0281 |
| Compound Name: | 3-(1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 364.42 |
| Molecular Formula: | C19 H16 N4 O2 S |
| Smiles: | CC1=C(C(N(c2ccccc2)N1C)=O)N1C(c2ccccc2NC1=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0266 |
| logD: | 1.6917 |
| logSw: | -2.7878 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.807 |
| InChI Key: | PXLCNHSNRFDHEL-UHFFFAOYSA-N |