N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K289-0173 |
| Compound Name: | N-[(furan-2-yl)methyl]-4-oxo-2-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3-(prop-2-en-1-yl)-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 452.53 |
| Molecular Formula: | C23 H24 N4 O4 S |
| Smiles: | C=CCN1C(=Nc2cc(ccc2C1=O)C(NCc1ccco1)=O)SCC(N1CCCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.6619 |
| logD: | 2.6618 |
| logSw: | -3.2829 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.941 |
| InChI Key: | YNYSUWAEEOHQMZ-UHFFFAOYSA-N |