3-[4-oxo-4-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butyl]-1,2,3-benzotriazin-4(3H)-one
Chemical Structure Depiction of
3-[4-oxo-4-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butyl]-1,2,3-benzotriazin-4(3H)-one
3-[4-oxo-4-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butyl]-1,2,3-benzotriazin-4(3H)-one
Compound characteristics
| Compound ID: | Y042-5440 |
| Compound Name: | 3-[4-oxo-4-(1,3,4,5-tetrahydro-2H-pyrido[4,3-b]indol-2-yl)butyl]-1,2,3-benzotriazin-4(3H)-one |
| Molecular Weight: | 387.44 |
| Molecular Formula: | C22 H21 N5 O2 |
| Smiles: | C(CC(N1CCc2c(C1)c1ccccc1[nH]2)=O)CN1C(c2ccccc2N=N1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0074 |
| logD: | 2.0074 |
| logSw: | -2.9261 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.815 |
| InChI Key: | DOKFPUTZVZGOSM-UHFFFAOYSA-N |