1-[3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperidine-4-carboxamide
Chemical Structure Depiction of
1-[3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperidine-4-carboxamide
1-[3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K288-0610 |
| Compound Name: | 1-[3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzoyl]piperidine-4-carboxamide |
| Molecular Weight: | 442.92 |
| Molecular Formula: | C21 H19 Cl N4 O3 S |
| Smiles: | C1CN(CCC1C(N)=O)C(c1cccc(c1)N1C(c2ccc(cc2NC1=S)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.6846 |
| logD: | 1.3073 |
| logSw: | -3.1987 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.414 |
| InChI Key: | CVCAFWQDJURCNW-UHFFFAOYSA-N |