6-{6-[(2-amino-2-oxoethyl)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-[(2-amino-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide
6-{6-[(2-amino-2-oxoethyl)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: | K284-5819 |
| Compound Name: | 6-{6-[(2-amino-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}-N-[2-(3,4-dimethoxyphenyl)ethyl]hexanamide |
| Molecular Weight: | 556.64 |
| Molecular Formula: | C27 H32 N4 O7 S |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(N)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 1.7633 |
| logD: | 1.7633 |
| logSw: | -2.7426 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 116.098 |
| InChI Key: | WPXJTKDGWUMGST-UHFFFAOYSA-N |