2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Chemical Structure Depiction of
2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide
Compound characteristics
| Compound ID: | K284-4470 |
| Compound Name: | 2-{[2-(2-chloroanilino)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-4-oxo-N-[(oxolan-2-yl)methyl]-3,4-dihydroquinazoline-7-carboxamide |
| Molecular Weight: | 553.04 |
| Molecular Formula: | C27 H25 Cl N4 O5 S |
| Smiles: | C1CC(CNC(c2ccc3C(N(Cc4ccco4)C(=Nc3c2)SCC(Nc2ccccc2[Cl])=O)=O)=O)OC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.8383 |
| logD: | 2.8382 |
| logSw: | -3.6944 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.039 |
| InChI Key: | ZTMCLAMNGIFQQR-GOSISDBHSA-N |