N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide
Compound characteristics
| Compound ID: | K288-0736 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-(7-chloro-4-oxo-2-sulfanylidene-1,4-dihydroquinazolin-3(2H)-yl)benzamide |
| Molecular Weight: | 465.91 |
| Molecular Formula: | C23 H16 Cl N3 O4 S |
| Smiles: | C(c1ccc2c(c1)OCO2)NC(c1cccc(c1)N1C(c2ccc(cc2NC1=S)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8869 |
| logD: | 3.5097 |
| logSw: | -4.4826 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.235 |
| InChI Key: | JUDQXIKROXLGSJ-UHFFFAOYSA-N |