N-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0601 |
| Compound Name: | N-(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 490.56 |
| Molecular Formula: | C27 H30 N4 O5 |
| Smiles: | COc1ccc(cc1OC)N1C(c2ccccc2C(C(NCC(NCCC2CCCCC=2)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9205 |
| logD: | 2.9205 |
| logSw: | -3.6086 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.227 |
| InChI Key: | NKTQKZGLHIJBFH-UHFFFAOYSA-N |