N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[6-{[2-(3-methoxyanilino)-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-methoxyanilino)-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-methoxyanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Compound characteristics
| Compound ID: | K284-5837 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[6-{[2-(3-methoxyanilino)-2-oxoethyl]sulfanyl}-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide |
| Molecular Weight: | 662.76 |
| Molecular Formula: | C34 H38 N4 O8 S |
| Smiles: | COc1cccc(c1)NC(CSC1=Nc2cc3c(cc2C(N1CCCCCC(NCCc1ccc(c(c1)OC)OC)=O)=O)OCO3)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9908 |
| logD: | 3.9908 |
| logSw: | -4.1599 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.132 |
| InChI Key: | CIQHSPMMUCRHOE-UHFFFAOYSA-N |