4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}butanamide
Chemical Structure Depiction of
4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}butanamide
4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}butanamide
Compound characteristics
| Compound ID: | D753-0104 |
| Compound Name: | 4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)-N-{4-[(1-oxo-1,3-dihydro-2H-isoindol-2-yl)methyl]cyclohexyl}butanamide |
| Molecular Weight: | 459.55 |
| Molecular Formula: | C26 H29 N5 O3 |
| Smiles: | C(CC(N[C@H]1CC[C@@H](CC1)CN1Cc2ccccc2C1=O)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ABSOLUTE |
| logP: | 2.6604 |
| logD: | 2.6604 |
| logSw: | -3.2996 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.754 |
| InChI Key: | KDTLIUYMXCIYNU-UHFFFAOYSA-N |