N-[(4-methoxyphenyl)methyl]-6-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Chemical Structure Depiction of
N-[(4-methoxyphenyl)methyl]-6-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
N-[(4-methoxyphenyl)methyl]-6-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Compound characteristics
| Compound ID: | K284-5743 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-6-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide |
| Molecular Weight: | 584.69 |
| Molecular Formula: | C29 H36 N4 O7 S |
| Smiles: | COCCCNC(CSC1=Nc2cc3c(cc2C(N1CCCCCC(NCc1ccc(cc1)OC)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8297 |
| logD: | 2.8297 |
| logSw: | -3.5258 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 107.807 |
| InChI Key: | IYEIHUNADCLXLM-UHFFFAOYSA-N |