4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-pentylbenzamide
Chemical Structure Depiction of
4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-pentylbenzamide
4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-pentylbenzamide
Compound characteristics
| Compound ID: | K284-0271 |
| Compound Name: | 4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-pentylbenzamide |
| Molecular Weight: | 367.47 |
| Molecular Formula: | C20 H21 N3 O2 S |
| Smiles: | CCCCCNC(c1ccc(cc1)N1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6064 |
| logD: | 3.6006 |
| logSw: | -3.7492 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.233 |
| InChI Key: | BTTAIRZXFBDQJY-UHFFFAOYSA-N |