N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[6-({2-[(5-methyl-1H-pyrazol-3-yl)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-[(5-methyl-1H-pyrazol-3-yl)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-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide
Compound characteristics
| Compound ID: | K284-5820 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-6-[6-({2-[(5-methyl-1H-pyrazol-3-yl)amino]-2-oxoethyl}sulfanyl)-8-oxo-2H-[1,3]dioxolo[4,5-g]quinazolin-7(8H)-yl]hexanamide |
| Molecular Weight: | 636.73 |
| Molecular Formula: | C31 H36 N6 O7 S |
| Smiles: | Cc1cc(NC(CSC2=Nc3cc4c(cc3C(N2CCCCCC(NCCc2ccc(c(c2)OC)OC)=O)=O)OCO4)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 2.8967 |
| logD: | 2.8948 |
| logSw: | -3.4704 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 128.723 |
| InChI Key: | TZYJDQNXVNGCHH-UHFFFAOYSA-N |