3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(pyridin-2-yl)methyl]benzamide
Chemical Structure Depiction of
3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(pyridin-2-yl)methyl]benzamide
3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(pyridin-2-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K288-0466 |
| Compound Name: | 3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(pyridin-2-yl)methyl]benzamide |
| Molecular Weight: | 422.89 |
| Molecular Formula: | C21 H15 Cl N4 O2 S |
| Smiles: | C(c1ccccn1)NC(c1cccc(c1)N1C(c2ccc(cc2NC1=S)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.064 |
| logD: | 2.6867 |
| logSw: | -3.7459 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 60.663 |
| InChI Key: | XMFVXGUQXDXZIO-UHFFFAOYSA-N |