N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide
Compound characteristics
| Compound ID: | K284-3280 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-[2-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]butanamide |
| Molecular Weight: | 590.7 |
| Molecular Formula: | C31 H34 N4 O6 S |
| Smiles: | COc1cccc(c1)NC(CSC1=Nc2ccccc2C(N1CCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4132 |
| logD: | 2.4132 |
| logSw: | -3.08 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 96.016 |
| InChI Key: | RLAWSUXDLCJFFP-UHFFFAOYSA-N |