methyl N-[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carbonyl]glycylglycinate
Chemical Structure Depiction of
methyl N-[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carbonyl]glycylglycinate
methyl N-[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carbonyl]glycylglycinate
Compound characteristics
| Compound ID: | C066-0493 |
| Compound Name: | methyl N-[3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carbonyl]glycylglycinate |
| Molecular Weight: | 458.86 |
| Molecular Formula: | C21 H19 Cl N4 O6 |
| Smiles: | COC(CNC(CNC(C1c2ccccc2C(N(c2ccc(c(c2)[Cl])OC)N=1)=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7904 |
| logD: | 1.7904 |
| logSw: | -2.9688 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.413 |
| InChI Key: | OKJMOYNTJFJYAS-UHFFFAOYSA-N |