3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(pyridin-3-yl)methyl]benzamide
Chemical Structure Depiction of
3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(pyridin-3-yl)methyl]benzamide
3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(pyridin-3-yl)methyl]benzamide
Compound characteristics
Compound ID: | K288-0467 |
Compound Name: | 3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(pyridin-3-yl)methyl]benzamide |
Molecular Weight: | 422.89 |
Molecular Formula: | C21 H15 Cl N4 O2 S |
Smiles: | C(c1cccnc1)NC(c1cccc(c1)N1C(c2ccc(cc2NC1=S)[Cl])=O)=O |
Stereo: | ACHIRAL |
logP: | 2.7461 |
logD: | 2.3688 |
logSw: | -3.8053 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 60.638 |
InChI Key: | VZCKWJKYZRZJIN-UHFFFAOYSA-N |