N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Compound characteristics
| Compound ID: | K284-5804 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{8-oxo-6-[(2-oxo-2-phenylethyl)sulfanyl]-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide |
| Molecular Weight: | 617.72 |
| Molecular Formula: | C33 H35 N3 O7 S |
| Smiles: | COc1ccc(CCNC(CCCCCN2C(=Nc3cc4c(cc3C2=O)OCO4)SCC(c2ccccc2)=O)=O)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.9465 |
| logD: | 3.9465 |
| logSw: | -4.058 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 95.686 |
| InChI Key: | ZMAUKOOGZYQVAG-UHFFFAOYSA-N |