6-(difluoromethyl)-2-({[5-(3-hydroxy-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)-2-methoxyphenyl]methyl}sulfanyl)-4-methylpyridine-3-carbonitrile
Chemical Structure Depiction of
6-(difluoromethyl)-2-({[5-(3-hydroxy-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)-2-methoxyphenyl]methyl}sulfanyl)-4-methylpyridine-3-carbonitrile
6-(difluoromethyl)-2-({[5-(3-hydroxy-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)-2-methoxyphenyl]methyl}sulfanyl)-4-methylpyridine-3-carbonitrile
Compound characteristics
| Compound ID: | Y501-7080 |
| Compound Name: | 6-(difluoromethyl)-2-({[5-(3-hydroxy-4-oxo-1,2,3,4-tetrahydroquinazolin-2-yl)-2-methoxyphenyl]methyl}sulfanyl)-4-methylpyridine-3-carbonitrile |
| Molecular Weight: | 482.51 |
| Molecular Formula: | C24 H20 F2 N4 O3 S |
| Smiles: | Cc1cc(C(F)F)nc(c1C#N)SCc1cc(ccc1OC)C1Nc2ccccc2C(N1O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.968 |
| logD: | 3.9205 |
| logSw: | -4.2464 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.939 |
| InChI Key: | AWEAKJRBMDDQEA-QFIPXVFZSA-N |