4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(3-chlorophenyl)methyl]butanamide
Chemical Structure Depiction of
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(3-chlorophenyl)methyl]butanamide
4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(3-chlorophenyl)methyl]butanamide
Compound characteristics
| Compound ID: | K284-4084 |
| Compound Name: | 4-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)-N-[(3-chlorophenyl)methyl]butanamide |
| Molecular Weight: | 466.78 |
| Molecular Formula: | C19 H17 Br Cl N3 O2 S |
| Smiles: | C(CC(NCc1cccc(c1)[Cl])=O)CN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 3.8857 |
| logD: | 3.8209 |
| logSw: | -4.3169 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 51.768 |
| InChI Key: | IIKMDUFSTKUVNJ-UHFFFAOYSA-N |