N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Chemical Structure Depiction of
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide
Compound characteristics
| Compound ID: | K284-3178 |
| Compound Name: | N-[(2,3-dihydro-1,4-benzodioxin-2-yl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)butanamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | C(CC(NCC1COc2ccccc2O1)=O)CN1C(c2ccccc2NC1=S)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.117 |
| logD: | 2.1159 |
| logSw: | -3.066 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.447 |
| InChI Key: | GVQWWHVNQNMPJB-AWEZNQCLSA-N |