N-{2-[(4-benzylcyclohexyl)amino]-2-oxoethyl}-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Chemical Structure Depiction of
N-{2-[(4-benzylcyclohexyl)amino]-2-oxoethyl}-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
N-{2-[(4-benzylcyclohexyl)amino]-2-oxoethyl}-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide
Compound characteristics
| Compound ID: | C066-0393 |
| Compound Name: | N-{2-[(4-benzylcyclohexyl)amino]-2-oxoethyl}-3-(3-chloro-4-methoxyphenyl)-4-oxo-3,4-dihydrophthalazine-1-carboxamide |
| Molecular Weight: | 559.07 |
| Molecular Formula: | C31 H31 Cl N4 O4 |
| Smiles: | COc1ccc(cc1[Cl])N1C(c2ccccc2C(C(NCC(NC2CCC(CC2)Cc2ccccc2)=O)=O)=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.3275 |
| logD: | 5.3275 |
| logSw: | -5.844 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.017 |
| InChI Key: | QCYWDTCDPFTLGL-UHFFFAOYSA-N |