N-[2-(3,4-dimethoxyphenyl)ethyl]-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-[2-(3,4-dimethoxyphenyl)ethyl]-6-[6-({2-[(3-methoxypropyl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-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: | K284-5826 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-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: | 628.75 |
| Molecular Formula: | C31 H40 N4 O8 S |
| Smiles: | COCCCNC(CSC1=Nc2cc3c(cc2C(N1CCCCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1392 |
| logD: | 2.1392 |
| logSw: | -2.9892 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 115.366 |
| InChI Key: | LDNFJNJQWCKMOL-UHFFFAOYSA-N |