N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide
Compound characteristics
| Compound ID: | K297-1035 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]hexanamide |
| Molecular Weight: | 424.52 |
| Molecular Formula: | C22 H24 N4 O3 S |
| Smiles: | C(CCC(NCc1ccc2c(c1)OCO2)=O)CCNC1c2ccccc2NC(N=1)=S |
| Stereo: | ACHIRAL |
| logP: | 2.7629 |
| logD: | 1.6651 |
| logSw: | -3.4625 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 72.49 |
| InChI Key: | WOSULWHBGWOKOO-UHFFFAOYSA-N |