4-{[2-(1-oxophthalazin-2(1H)-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
Chemical Structure Depiction of
4-{[2-(1-oxophthalazin-2(1H)-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
4-{[2-(1-oxophthalazin-2(1H)-yl)acetamido]methyl}cyclohexane-1-carboxylic acid
Compound characteristics
| Compound ID: | Y043-1534 |
| Compound Name: | 4-{[2-(1-oxophthalazin-2(1H)-yl)acetamido]methyl}cyclohexane-1-carboxylic acid |
| Molecular Weight: | 343.38 |
| Molecular Formula: | C18 H21 N3 O4 |
| Smiles: | C1C[C@@H](CC[C@H]1C(O)=O)CNC(CN1C(c2ccccc2C=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4662 |
| logD: | -2.0942 |
| logSw: | -2.3176 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.302 |
| InChI Key: | GHFKXPLFBDGJND-UHFFFAOYSA-N |