1-[3-(butylsulfanyl)-10-chloro-6-(3-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Chemical Structure Depiction of
1-[3-(butylsulfanyl)-10-chloro-6-(3-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
1-[3-(butylsulfanyl)-10-chloro-6-(3-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one
Compound characteristics
| Compound ID: | F579-4773 |
| Compound Name: | 1-[3-(butylsulfanyl)-10-chloro-6-(3-fluorophenyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]propan-1-one |
| Molecular Weight: | 472.97 |
| Molecular Formula: | C23 H22 Cl F N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3cc(ccc3N(C(c3cccc(c3)F)O2)C(CC)=O)[Cl])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.9838 |
| logD: | 5.9838 |
| logSw: | -6.0015 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | WHIKQSPQNHGVMI-JOCHJYFZSA-N |