1-{10-chloro-6-[4-(dimethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}butan-1-one
Chemical Structure Depiction of
1-{10-chloro-6-[4-(dimethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}butan-1-one
1-{10-chloro-6-[4-(dimethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}butan-1-one
Compound characteristics
| Compound ID: | F579-4675 |
| Compound Name: | 1-{10-chloro-6-[4-(dimethylamino)phenyl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}butan-1-one |
| Molecular Weight: | 469.99 |
| Molecular Formula: | C23 H24 Cl N5 O2 S |
| Smiles: | CCCC(N1C(c2ccc(cc2)N(C)C)Oc2c(c3cc(ccc13)[Cl])nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2045 |
| logD: | 5.1959 |
| logSw: | -5.614 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 56.449 |
| InChI Key: | LFFRLMXXEBKESN-JOCHJYFZSA-N |