1-{6-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Chemical Structure Depiction of
1-{6-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
1-{6-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one
Compound characteristics
| Compound ID: | 4896-4423 |
| Compound Name: | 1-{6-[5-(3-chloro-4-methylphenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one |
| Molecular Weight: | 492.98 |
| Molecular Formula: | C25 H21 Cl N4 O3 S |
| Smiles: | CCC(N1C(c2ccc(c3ccc(C)c(c3)[Cl])o2)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.0179 |
| logD: | 6.0179 |
| logSw: | -5.9389 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.043 |
| InChI Key: | ZJERAMRCANKFSJ-DEOSSOPVSA-N |