4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(pyridin-2-yl)methyl]butanamide
Chemical Structure Depiction of
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(pyridin-2-yl)methyl]butanamide
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(pyridin-2-yl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-4089 |
| Compound Name: | 4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(pyridin-2-yl)methyl]butanamide |
| Molecular Weight: | 433.32 |
| Molecular Formula: | C18 H17 Br N4 O2 S |
| Smiles: | C(CC(NCc1ccccn1)=O)CN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 2.2786 |
| logD: | 2.2135 |
| logSw: | -3.1403 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 61.311 |
| InChI Key: | LJHPNNCELDRYBW-UHFFFAOYSA-N |