methyl 4-{3-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]propanamido}benzoate
Chemical Structure Depiction of
methyl 4-{3-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]propanamido}benzoate
methyl 4-{3-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]propanamido}benzoate
Compound characteristics
| Compound ID: | 6016-3214 |
| Compound Name: | methyl 4-{3-[4-(4-chlorophenyl)-1-oxophthalazin-2(1H)-yl]propanamido}benzoate |
| Molecular Weight: | 461.9 |
| Molecular Formula: | C25 H20 Cl N3 O4 |
| Smiles: | COC(c1ccc(cc1)NC(CCN1C(c2ccccc2C(c2ccc(cc2)[Cl])=N1)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2333 |
| logD: | 4.2331 |
| logSw: | -4.5824 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 71.497 |
| InChI Key: | CHCMSGUWSXGVOH-UHFFFAOYSA-N |