3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-cyclohexylbenzamide
Chemical Structure Depiction of
3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-cyclohexylbenzamide
3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-cyclohexylbenzamide
Compound characteristics
| Compound ID: | K288-0415 |
| Compound Name: | 3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-cyclohexylbenzamide |
| Molecular Weight: | 413.92 |
| Molecular Formula: | C21 H20 Cl N3 O2 S |
| Smiles: | C1CCC(CC1)NC(c1cccc(c1)N1C(c2ccc(cc2NC1=S)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3065 |
| logD: | 3.9292 |
| logSw: | -4.6368 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 50.845 |
| InChI Key: | YPMCKDJJQYPKTP-UHFFFAOYSA-N |