4-[6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Chemical Structure Depiction of
4-[6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
4-[6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide
Compound characteristics
| Compound ID: | K284-5674 |
| Compound Name: | 4-[6-{[2-(3,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]-N-[2-(3,4-dimethoxyphenyl)ethyl]butanamide |
| Molecular Weight: | 658.56 |
| Molecular Formula: | C31 H29 Cl2 N3 O7 S |
| Smiles: | COc1ccc(CCNC(CCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(c2ccc(c(c2)[Cl])[Cl])=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 4.5606 |
| logD: | 4.5606 |
| logSw: | -4.657 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.686 |
| InChI Key: | AKDYQFBNCZCRBG-UHFFFAOYSA-N |