N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-(morpholin-4-yl)-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-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]hexanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]hexanamide
Compound characteristics
| Compound ID: | K284-6367 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-6-[6-(morpholin-4-yl)-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl]hexanamide |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C26 H30 N4 O5 S |
| Smiles: | C(CCC(NCc1ccc2c(c1)OCO2)=O)CCN1C(c2cc(ccc2NC1=S)N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8637 |
| logD: | 2.862 |
| logSw: | -3.4497 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.244 |
| InChI Key: | TXRNKHZZSWTNJC-UHFFFAOYSA-N |