6,7-diethoxy-3-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
6,7-diethoxy-3-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
6,7-diethoxy-3-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-7378 |
| Compound Name: | 6,7-diethoxy-3-({4-[4-(4-methoxyphenyl)piperazine-1-carbonyl]phenyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 574.7 |
| Molecular Formula: | C31 H34 N4 O5 S |
| Smiles: | CCOc1cc2C(N(Cc3ccc(cc3)C(N3CCN(CC3)c3ccc(cc3)OC)=O)C(Nc2cc1OCC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9821 |
| logD: | 3.975 |
| logSw: | -4.0981 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.191 |
| InChI Key: | KIWJESQCBLVVCA-UHFFFAOYSA-N |