3-[(oxolan-2-yl)methyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Chemical Structure Depiction of
3-[(oxolan-2-yl)methyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
3-[(oxolan-2-yl)methyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one
Compound characteristics
| Compound ID: | A0061047 |
| Compound Name: | 3-[(oxolan-2-yl)methyl]-7-(piperidine-1-carbonyl)-2-sulfanylidene-2,3-dihydroquinazolin-4(1H)-one |
| Molecular Weight: | 373.47 |
| Molecular Formula: | C19 H23 N3 O3 S |
| Smiles: | C1CCN(CC1)C(c1ccc2C(N(CC3CCCO3)C(Nc2c1)=S)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.8497 |
| logD: | 1.8492 |
| logSw: | -2.7386 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.62 |
| InChI Key: | TYJNZZUUMGMQGH-CQSZACIVSA-N |