N-(3-methylbutyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Chemical Structure Depiction of
N-(3-methylbutyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
N-(3-methylbutyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide
Compound characteristics
| Compound ID: | K284-3345 |
| Compound Name: | N-(3-methylbutyl)-4-[(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]benzamide |
| Molecular Weight: | 381.5 |
| Molecular Formula: | C21 H23 N3 O2 S |
| Smiles: | CC(C)CCNC(c1ccc(CN2C(c3ccccc3NC2=S)=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9826 |
| logD: | 3.9823 |
| logSw: | -4.1325 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.844 |
| InChI Key: | PQIBTQYAPXLLFK-UHFFFAOYSA-N |