4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methylbutyl)benzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methylbutyl)benzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methylbutyl)benzamide
Compound characteristics
| Compound ID: | K284-3971 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-(3-methylbutyl)benzamide |
| Molecular Weight: | 460.39 |
| Molecular Formula: | C21 H22 Br N3 O2 S |
| Smiles: | CC(C)CCNC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8224 |
| logD: | 4.8006 |
| logSw: | -4.4111 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.844 |
| InChI Key: | OPTOHDUNEVTKNV-UHFFFAOYSA-N |