N-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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-[(4-methoxyphenyl)methyl]-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: | K284-5737 |
| Compound Name: | N-[(4-methoxyphenyl)methyl]-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: | 592.67 |
| Molecular Formula: | C29 H32 N6 O6 S |
| Smiles: | Cc1cc(NC(CSC2=Nc3cc4c(cc3C(N2CCCCCC(NCc2ccc(cc2)OC)=O)=O)OCO4)=O)n[nH]1 |
| Stereo: | ACHIRAL |
| logP: | 3.5873 |
| logD: | 3.5854 |
| logSw: | -3.8409 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.164 |
| InChI Key: | QEWCNNPECWSWGB-UHFFFAOYSA-N |