4-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
4-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K284-3422 |
| Compound Name: | 4-{2-[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]-4-oxoquinazolin-3(4H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide |
| Molecular Weight: | 592.76 |
| Molecular Formula: | C32 H40 N4 O5 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3ccccc3C2=O)SCC(NCCC2CCCCC=2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.1732 |
| logD: | 2.1732 |
| logSw: | -2.8862 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 89.828 |
| InChI Key: | FSFKHDIZRAGLLS-UHFFFAOYSA-N |