N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y042-3905 |
| Compound Name: | N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 434.49 |
| Molecular Formula: | C24 H26 N4 O4 |
| Smiles: | C1COc2ccc(cc2OC1)NC(C1CCC(CC1)CN1C(c2ccccc2N=N1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4063 |
| logD: | 3.4061 |
| logSw: | -3.886 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.37 |
| InChI Key: | SNVMXCWJUBUMHQ-UHFFFAOYSA-N |