1-(2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
1-(2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
1-(2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | K284-4532 |
| Compound Name: | 1-(2-{[2-(3-chloro-4-methylanilino)-2-oxoethyl]sulfanyl}-3-[(furan-2-yl)methyl]-4-oxo-3,4-dihydroquinazoline-7-carbonyl)piperidine-4-carboxamide |
| Molecular Weight: | 594.09 |
| Molecular Formula: | C29 H28 Cl N5 O5 S |
| Smiles: | Cc1ccc(cc1[Cl])NC(CSC1=Nc2cc(ccc2C(N1Cc1ccco1)=O)C(N1CCC(CC1)C(N)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3378 |
| logD: | 3.3377 |
| logSw: | -3.7949 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 107.376 |
| InChI Key: | LCJBZRWMEVJKAU-UHFFFAOYSA-N |