ethyl 4-{3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
ethyl 4-{3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | K288-0718 |
| Compound Name: | ethyl 4-{3-[2-(diethylamino)ethyl]-4-oxo-2-sulfanylidene-1,2,3,4-tetrahydroquinazoline-7-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C22 H31 N5 O4 S |
| Smiles: | CCN(CC)CCN1C(c2ccc(cc2NC1=S)C(N1CCN(CC1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0584 |
| logD: | 0.6109 |
| logSw: | -3.0669 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 70.407 |
| InChI Key: | QRADIDXHKDKYDQ-UHFFFAOYSA-N |