ethyl ({7-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetate
Chemical Structure Depiction of
ethyl ({7-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetate
ethyl ({7-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetate
Compound characteristics
| Compound ID: | K284-5884 |
| Compound Name: | ethyl ({7-[(4-{[2-(3,4-dimethoxyphenyl)ethyl]carbamoyl}phenyl)methyl]-8-oxo-7,8-dihydro-2H-[1,3]dioxolo[4,5-g]quinazolin-6-yl}sulfanyl)acetate |
| Molecular Weight: | 605.67 |
| Molecular Formula: | C31 H31 N3 O8 S |
| Smiles: | CCOC(CSC1=Nc2cc3c(cc2C(N1Cc1ccc(cc1)C(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8917 |
| logD: | 3.8917 |
| logSw: | -4.0043 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 102.832 |
| InChI Key: | LQAXFTRCWOXZRA-UHFFFAOYSA-N |