3-{[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-{[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one
3-{[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-2994 |
| Compound Name: | 3-{[4-(4-benzylpiperazine-1-carbonyl)cyclohexyl]methyl}-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 445.56 |
| Molecular Formula: | C26 H31 N5 O2 |
| Smiles: | C1C[C@@H](CC[C@H]1CN1C(c2ccccc2N=N1)=O)C(N1CCN(CC1)Cc1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.883 |
| logD: | 3.8312 |
| logSw: | -4.192 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 61.314 |
| InChI Key: | ZZICPWHSWMHUCI-UHFFFAOYSA-N |