N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Compound characteristics
| Compound ID: | K288-0530 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-4-(4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide |
| Molecular Weight: | 431.47 |
| Molecular Formula: | C23 H17 N3 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1ccc(cc1)N1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.278 |
| logD: | 3.2722 |
| logSw: | -3.6885 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.235 |
| InChI Key: | ORQRXLABLQTYLW-UHFFFAOYSA-N |