4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-cyclopentylbenzamide
Chemical Structure Depiction of
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-cyclopentylbenzamide
4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-cyclopentylbenzamide
Compound characteristics
| Compound ID: | K284-4004 |
| Compound Name: | 4-[(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)methyl]-N-cyclopentylbenzamide |
| Molecular Weight: | 458.38 |
| Molecular Formula: | C21 H20 Br N3 O2 S |
| Smiles: | C1CCC(C1)NC(c1ccc(CN2C(c3cc(ccc3NC2=S)[Br])=O)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6733 |
| logD: | 4.6515 |
| logSw: | -4.6651 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.822 |
| InChI Key: | NNWKYXTWLRKDLR-UHFFFAOYSA-N |