3-({4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-({4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-({4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K284-6209 |
| Compound Name: | 3-({4-[4-(3-methoxyphenyl)piperazine-1-carbonyl]cyclohexyl}methyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 492.64 |
| Molecular Formula: | C27 H32 N4 O3 S |
| Smiles: | COc1cccc(c1)N1CCN(CC1)C(C1CCC(CC1)CN1C(c2ccccc2NC1=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8707 |
| logD: | 4.8695 |
| logSw: | -4.577 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.963 |
| InChI Key: | KZMZLSZFTUEZBO-UHFFFAOYSA-N |