3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-cycloheptylbenzamide
Chemical Structure Depiction of
3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-cycloheptylbenzamide
3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-cycloheptylbenzamide
Compound characteristics
| Compound ID: | K288-0508 |
| Compound Name: | 3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-cycloheptylbenzamide |
| Molecular Weight: | 427.95 |
| Molecular Formula: | C22 H22 Cl N3 O2 S |
| Smiles: | C1CCCC(CC1)NC(c1cccc(c1)N1C(c2ccc(cc2NC1=S)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8024 |
| logD: | 4.4251 |
| logSw: | -4.9372 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.176 |
| InChI Key: | ZMQIYKUHGRXKSS-UHFFFAOYSA-N |