ethyl 4-{3-benzyl-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{3-benzyl-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carbonyl}piperazine-1-carboxylate
ethyl 4-{3-benzyl-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carbonyl}piperazine-1-carboxylate
Compound characteristics
| Compound ID: | A0015683 |
| Compound Name: | ethyl 4-{3-benzyl-2-[(2-ethoxy-2-oxoethyl)sulfanyl]-4-oxo-3,4-dihydroquinazoline-7-carbonyl}piperazine-1-carboxylate |
| Molecular Weight: | 538.62 |
| Molecular Formula: | C27 H30 N4 O6 S |
| Smiles: | CCOC(CSC1=Nc2cc(ccc2C(N1Cc1ccccc1)=O)C(N1CCN(CC1)C(=O)OCC)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0634 |
| logD: | 3.0634 |
| logSw: | -3.4225 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 85.63 |
| InChI Key: | PIUJJMHLPLUDLL-UHFFFAOYSA-N |