methyl 4-{[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]methyl}benzoate
Chemical Structure Depiction of
methyl 4-{[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]methyl}benzoate
methyl 4-{[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]methyl}benzoate
Compound characteristics
| Compound ID: | D262-0458 |
| Compound Name: | methyl 4-{[4-(2,5-dimethylphenyl)-1-oxo-5,6,7,8-tetrahydrophthalazin-2(1H)-yl]methyl}benzoate |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C25 H26 N2 O3 |
| Smiles: | Cc1ccc(C)c(c1)C1C2CCCCC=2C(N(Cc2ccc(cc2)C(=O)OC)N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6589 |
| logD: | 5.6589 |
| logSw: | -5.3305 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 48.561 |
| InChI Key: | TWBYDKPFWIHKLI-UHFFFAOYSA-N |