N-benzyl-3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Chemical Structure Depiction of
N-benzyl-3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
N-benzyl-3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Compound characteristics
| Compound ID: | K288-0459 |
| Compound Name: | N-benzyl-3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide |
| Molecular Weight: | 421.9 |
| Molecular Formula: | C22 H16 Cl N3 O2 S |
| Smiles: | C(c1ccccc1)NC(c1cccc(c1)N1C(c2ccc(cc2NC1=S)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9738 |
| logD: | 3.5966 |
| logSw: | -4.5085 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.12 |
| InChI Key: | AUPXVVVRWLFXKT-UHFFFAOYSA-N |