6-chloro-3-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6-chloro-3-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6-chloro-3-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K287-0551 |
| Compound Name: | 6-chloro-3-[(4-methylphenyl)methyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 316.81 |
| Molecular Formula: | C16 H13 Cl N2 O S |
| Smiles: | Cc1ccc(CN2C(c3cc(ccc3NC2=S)[Cl])=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.5258 |
| logD: | 4.504 |
| logSw: | -4.6078 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 27.3179 |
| InChI Key: | SSPCXNZRYWWYQP-UHFFFAOYSA-N |