N-[(3-chlorophenyl)methyl]-4-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
Chemical Structure Depiction of
N-[(3-chlorophenyl)methyl]-4-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
N-[(3-chlorophenyl)methyl]-4-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide
Compound characteristics
| Compound ID: | K284-3389 |
| Compound Name: | N-[(3-chlorophenyl)methyl]-4-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}butanamide |
| Molecular Weight: | 553.12 |
| Molecular Formula: | C29 H33 Cl N4 O3 S |
| Smiles: | C1CCC(CCNC(CSC2=Nc3ccccc3C(N2CCCC(NCc2cccc(c2)[Cl])=O)=O)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 3.5788 |
| logD: | 3.5788 |
| logSw: | -3.9915 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.726 |
| InChI Key: | GBEFILUFVAOEIE-UHFFFAOYSA-N |