6-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
Chemical Structure Depiction of
6-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
6-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
Compound characteristics
| Compound ID: | K284-5807 |
| Compound Name: | 6-{6-[(cyanomethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide |
| Molecular Weight: | 538.62 |
| Molecular Formula: | C27 H30 N4 O6 S |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC#N)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 2.5129 |
| logD: | 2.5129 |
| logSw: | -3.0159 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.202 |
| InChI Key: | YJOVXAORRQVYFK-UHFFFAOYSA-N |