methyl 2-{[3-(3-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 2-{[3-(3-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carbonyl]amino}benzoate
methyl 2-{[3-(3-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | K979-0531 |
| Compound Name: | methyl 2-{[3-(3-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carbonyl]amino}benzoate |
| Molecular Weight: | 429.43 |
| Molecular Formula: | C24 H19 N3 O5 |
| Smiles: | COC(c1ccccc1NC(C1c2ccccc2C(N(c2cccc(c2)OC)N=1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.8195 |
| logD: | 3.2018 |
| logSw: | -4.102 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.159 |
| InChI Key: | LRAYXNIHJYECRE-UHFFFAOYSA-N |