methyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Chemical Structure Depiction of
methyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
methyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate
Compound characteristics
| Compound ID: | K284-2039 |
| Compound Name: | methyl 2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carboxylate |
| Molecular Weight: | 497.96 |
| Molecular Formula: | C24 H20 Cl N3 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2cc(ccc2C(N1Cc1ccco1)=O)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1007 |
| logD: | 5.1006 |
| logSw: | -5.2799 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.843 |
| InChI Key: | ORQHQERARSAVHD-UHFFFAOYSA-N |