N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[6-({2-[4-(dimethylamino)anilino]-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-[4-(dimethylamino)anilino]-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-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Compound characteristics
| Compound ID: | K284-5840 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[6-({2-[4-(dimethylamino)anilino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide |
| Molecular Weight: | 675.81 |
| Molecular Formula: | C35 H41 N5 O7 S |
| Smiles: | CN(C)c1ccc(cc1)NC(CSC1=Nc2cc3c(cc2C(N1CCCCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0144 |
| logD: | 4.0058 |
| logSw: | -4.1809 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.393 |
| InChI Key: | UBVAUPVNNKJKKL-UHFFFAOYSA-N |