6,7-diethoxy-3-{[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6,7-diethoxy-3-{[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6,7-diethoxy-3-{[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7369 |
| Compound Name: | 6,7-diethoxy-3-{[4-(4-phenyl-3,6-dihydropyridine-1(2H)-carbonyl)phenyl]methyl}-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 541.67 |
| Molecular Formula: | C31 H31 N3 O4 S |
| Smiles: | CCOc1cc2C(N(Cc3ccc(cc3)C(N3CCC(=CC3)c3ccccc3)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7787 |
| logD: | 4.7716 |
| logSw: | -4.3575 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.115 |
| InChI Key: | GGNTXDJWTVCDFA-UHFFFAOYSA-N |