3-[2-(cyclohex-1-en-1-yl)ethyl]-7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[2-(cyclohex-1-en-1-yl)ethyl]-7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | K288-0878 |
| Compound Name: | 3-[2-(cyclohex-1-en-1-yl)ethyl]-7-[4-(2-methoxyphenyl)piperazine-1-carbonyl]-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 504.65 |
| Molecular Formula: | C28 H32 N4 O3 S |
| Smiles: | COc1ccccc1N1CCN(CC1)C(c1ccc2C(N(CCC3CCCCC=3)C(Nc2c1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3981 |
| logD: | 4.3975 |
| logSw: | -4.2164 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.727 |
| InChI Key: | LBRBMSDDHNIAHY-UHFFFAOYSA-N |