N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-({1-[(3-methoxypropyl)amino]-1-oxobutan-2-yl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-({1-[(3-methoxypropyl)amino]-1-oxobutan-2-yl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-({1-[(3-methoxypropyl)amino]-1-oxobutan-2-yl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide
Compound characteristics
| Compound ID: | K284-5909 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-4-{[6-({1-[(3-methoxypropyl)amino]-1-oxobutan-2-yl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]methyl}benzamide |
| Molecular Weight: | 676.79 |
| Molecular Formula: | C35 H40 N4 O8 S |
| Smiles: | CCC(C(NCCCOC)=O)SC1=Nc2cc3c(cc2C(N1Cc1ccc(cc1)C(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1411 |
| logD: | 4.1411 |
| logSw: | -4.2306 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.543 |
| InChI Key: | JVBDRBIXQWASBT-HKBQPEDESA-N |