N-[2-(6-chloro-1H-indol-1-yl)ethyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Chemical Structure Depiction of
N-[2-(6-chloro-1H-indol-1-yl)ethyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
N-[2-(6-chloro-1H-indol-1-yl)ethyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide
Compound characteristics
| Compound ID: | Y042-5194 |
| Compound Name: | N-[2-(6-chloro-1H-indol-1-yl)ethyl]-4-(4-oxo-1,2,3-benzotriazin-3(4H)-yl)butanamide |
| Molecular Weight: | 409.87 |
| Molecular Formula: | C21 H20 Cl N5 O2 |
| Smiles: | C(CC(NCCn1ccc2ccc(cc12)[Cl])=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.8859 |
| logD: | 2.8859 |
| logSw: | -3.7625 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.313 |
| InChI Key: | BVUQDGRJYMVOPO-UHFFFAOYSA-N |