ethyl 4-{[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)carbamothioyl]amino}piperidine-1-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)carbamothioyl]amino}piperidine-1-carboxylate
ethyl 4-{[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)carbamothioyl]amino}piperidine-1-carboxylate
Compound characteristics
| Compound ID: | C066-3455 |
| Compound Name: | ethyl 4-{[(12-oxo-6,7,8,9,10,12-hexahydroazepino[2,1-b]quinazolin-2-yl)carbamothioyl]amino}piperidine-1-carboxylate |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C22 H29 N5 O3 S |
| Smiles: | CCOC(N1CCC(CC1)NC(Nc1ccc2c(c1)C(N1CCCCCC1=N2)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7614 |
| logD: | 2.7613 |
| logSw: | -3.4604 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.37 |
| InChI Key: | BFSUIEUOQFZZEO-UHFFFAOYSA-N |