3-[(4-chlorophenyl)methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(4-chlorophenyl)methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(4-chlorophenyl)methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0918 |
| Compound Name: | 3-[(4-chlorophenyl)methyl]-7-[4-(4-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 521.04 |
| Molecular Formula: | C27 H25 Cl N4 O3 S |
| Smiles: | COc1ccc(cc1)N1CCN(CC1)C(c1ccc2C(N(Cc3ccc(cc3)[Cl])C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7409 |
| logD: | 4.7408 |
| logSw: | -4.8333 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.77 |
| InChI Key: | JQASZEVPTVAPLC-UHFFFAOYSA-N |