3-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}cyclohexyl)methyl]-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}cyclohexyl)methyl]-1,2,3-benzotriazin-4(3H)-one
3-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}cyclohexyl)methyl]-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y040-2993 |
| Compound Name: | 3-[(4-{4-[(2H-1,3-benzodioxol-5-yl)methyl]piperazine-1-carbonyl}cyclohexyl)methyl]-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 489.57 |
| Molecular Formula: | C27 H31 N5 O4 |
| Smiles: | C1C[C@@H](CC[C@H]1C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7542 |
| logD: | 3.2858 |
| logSw: | -4.1522 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 78.429 |
| InChI Key: | ULXXPRBPEMHEDN-UHFFFAOYSA-N |