N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0632 |
| Compound Name: | N-[2-(4-benzylpiperazin-1-yl)-2-oxoethyl]-3-(3,4-dimethoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 541.61 |
| Molecular Formula: | C30 H31 N5 O5 |
| Smiles: | COc1ccc(cc1OC)N1C(c2ccccc2C(C(NCC(N2CCN(CC2)Cc2ccccc2)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2497 |
| logD: | 2.2342 |
| logSw: | -3.1382 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 85.655 |
| InChI Key: | CJRWWRPPEZWXAW-UHFFFAOYSA-N |