N-[(3-chlorophenyl)methyl]-4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
N-[(3-chlorophenyl)methyl]-4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | K284-3380 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-{2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide |
| Molecular Weight: | 525.03 |
| Molecular Formula: | C26 H25 Cl N4 O4 S |
| Smiles: | C(CC(NCc1cccc(c1)[Cl])=O)CN1C(=Nc2ccccc2C1=O)SCC(NCc1ccco1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1843 |
| logD: | 3.1843 |
| logSw: | -3.8484 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.441 |
| InChI Key: | LPTCPJQKRQQXFE-UHFFFAOYSA-N |