2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K289-0543 |
| Compound Name: | 2-{[2-(4-ethoxyanilino)-2-oxoethyl]sulfanyl}-3-(4-fluorophenyl)-N-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 572.61 |
| Molecular Formula: | C30 H25 F N4 O5 S |
| Smiles: | CCOc1ccc(cc1)NC(CSC1=Nc2cc(ccc2C(N1c1ccc(cc1)F)=O)C(NCc1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5409 |
| logD: | 4.5408 |
| logSw: | -4.3033 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 87.595 |
| InChI Key: | AUJCIDWQLRTBQR-UHFFFAOYSA-N |