N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide
Compound characteristics
| Compound ID: | K284-4135 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-(6-bromo-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)hexanamide |
| Molecular Weight: | 504.4 |
| Molecular Formula: | C22 H22 Br N3 O4 S |
| Smiles: | C(CCC(NCc1ccc2c(c1)OCO2)=O)CCN1C(c2cc(ccc2NC1=S)[Br])=O |
| Stereo: | ACHIRAL |
| logP: | 4.1116 |
| logD: | 4.0467 |
| logSw: | -4.1182 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.883 |
| InChI Key: | KVMRMIZNZRVXPH-UHFFFAOYSA-N |