ethyl 4-{3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
ethyl 4-{3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K288-0761 |
| Compound Name: | ethyl 4-{3-[2-(cyclohex-1-en-1-yl)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 470.59 |
| Molecular Formula: | C24 H30 N4 O4 S |
| Smiles: | CCOC(N1CCN(CC1)C(c1ccc2C(N(CCC3CCCCC=3)C(Nc2c1)=S)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2999 |
| logD: | 3.2993 |
| logSw: | -3.5973 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.917 |
| InChI Key: | YJNYMVSEUUODFE-UHFFFAOYSA-N |