(1r,4r)-N-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Chemical Structure Depiction of
(1r,4r)-N-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
(1r,4r)-N-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | Y042-9125 |
| Compound Name: | (1r,4r)-N-(1,1-dioxo-2,3-dihydro-1H-1lambda~6~-thiophen-3-yl)-4-[(4-oxo-1,2,3-benzotriazin-3(4H)-yl)methyl]cyclohexane-1-carboxamide |
| Molecular Weight: | 402.47 |
| Molecular Formula: | C19 H22 N4 O4 S |
| Smiles: | C1C[C@@H](CC[C@H]1CN1C(c2ccccc2N=N1)=O)C(NC1CS(C=C1)(=O)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.5695 |
| logD: | 1.5695 |
| logSw: | -2.56 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 93.701 |
| InChI Key: | IKHGREJENLVRRA-NRXISQOPSA-N |