1-[6-(4-chlorophenyl)-10-ethyl-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Chemical Structure Depiction of
1-[6-(4-chlorophenyl)-10-ethyl-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
1-[6-(4-chlorophenyl)-10-ethyl-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one
Compound characteristics
| Compound ID: | F579-4181 |
| Compound Name: | 1-[6-(4-chlorophenyl)-10-ethyl-3-[(3-methylbutyl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl]butan-1-one |
| Molecular Weight: | 511.09 |
| Molecular Formula: | C27 H31 Cl N4 O2 S |
| Smiles: | CCCC(N1C(c2ccc(cc2)[Cl])Oc2c(c3cc(CC)ccc13)nnc(n2)SCCC(C)C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 7.4498 |
| logD: | 7.4498 |
| logSw: | -6.4394 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.644 |
| InChI Key: | ZSEIEHKZHXLWOW-SANMLTNESA-N |