N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{6-[(2-{[(4-methylphenyl)methyl]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-{[(4-methylphenyl)methyl]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-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide
Compound characteristics
| Compound ID: | K284-5832 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-{6-[(2-{[(4-methylphenyl)methyl]amino}-2-oxoethyl)sulfanyl]-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl}hexanamide |
| Molecular Weight: | 660.79 |
| Molecular Formula: | C35 H40 N4 O7 S |
| Smiles: | Cc1ccc(CNC(CSC2=Nc3cc4c(cc3C(N2CCCCCC(NCCc2ccc(c(c2)OC)OC)=O)=O)OCO4)=O)cc1 |
| Stereo: | ACHIRAL |
| logP: | 4.029 |
| logD: | 4.029 |
| logSw: | -4.1268 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.91 |
| InChI Key: | RUIXWDRVYUSXPH-UHFFFAOYSA-N |