3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
Chemical Structure Depiction of
3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | K288-0590 |
| Compound Name: | 3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[2-(cyclohex-1-en-1-yl)ethyl]benzamide |
| Molecular Weight: | 439.96 |
| Molecular Formula: | C23 H22 Cl N3 O2 S |
| Smiles: | C1CCC(CCNC(c2cccc(c2)N2C(c3ccc(cc3NC2=S)[Cl])=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.2778 |
| logD: | 3.9006 |
| logSw: | -4.6278 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.153 |
| InChI Key: | KEBPVVMOGCDFAR-UHFFFAOYSA-N |