N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}acetamide
Compound characteristics
| Compound ID: | K297-1122 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-{2-[(2-sulfanylidene-1,2-dihydroquinazolin-4-yl)amino]-1,3-thiazol-4-yl}acetamide |
| Molecular Weight: | 451.52 |
| Molecular Formula: | C21 H17 N5 O3 S2 |
| Smiles: | C(C(NCc1ccc2c(c1)OCO2)=O)c1csc(NC2c3ccccc3NC(N=2)=S)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.5436 |
| logD: | 0.8889 |
| logSw: | -3.8971 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 81.597 |
| InChI Key: | VADHBBVDWMUGLO-UHFFFAOYSA-N |