4-[2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
4-[2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K284-3424 |
| Compound Name: | 4-[2-{[2-(2,5-dimethoxyanilino)-2-oxoethyl]sulfanyl}-4-oxoquinazolin-3(4H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide |
| Molecular Weight: | 620.73 |
| Molecular Formula: | C32 H36 N4 O7 S |
| Smiles: | COc1ccc(c(c1)NC(CSC1=Nc2ccccc2C(N1CCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)=O)OC |
| Stereo: | ACHIRAL |
| logP: | 2.0302 |
| logD: | 2.0299 |
| logSw: | -3.0078 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.949 |
| InChI Key: | UCBGHRQXJWOJKZ-UHFFFAOYSA-N |