3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one
3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-2977 |
| Compound Name: | 3-{[4-(4-phenylpiperazine-1-carbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 431.54 |
| Molecular Formula: | C25 H29 N5 O2 |
| Smiles: | C1C[C@H](CC[C@@H]1C(N1CCN(CC1)c1ccccc1)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.2019 |
| logD: | 4.2019 |
| logSw: | -4.4446 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 61.033 |
| InChI Key: | PMKWEFMDZGGEHB-UHFFFAOYSA-N |