ethyl {[4-oxo-7-{[(oxolan-2-yl)methyl]carbamoyl}-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
Chemical Structure Depiction of
ethyl {[4-oxo-7-{[(oxolan-2-yl)methyl]carbamoyl}-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
ethyl {[4-oxo-7-{[(oxolan-2-yl)methyl]carbamoyl}-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate
Compound characteristics
| Compound ID: | K289-0119 |
| Compound Name: | ethyl {[4-oxo-7-{[(oxolan-2-yl)methyl]carbamoyl}-3-(prop-2-en-1-yl)-3,4-dihydroquinazolin-2-yl]sulfanyl}acetate |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C21 H25 N3 O5 S |
| Smiles: | CCOC(CSC1=Nc2cc(ccc2C(N1CC=C)=O)C(NCC1CCCO1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6291 |
| logD: | 1.6291 |
| logSw: | -2.6948 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.519 |
| InChI Key: | PKWNVAABZVSTFI-OAHLLOKOSA-N |