1-{6-[5-(3-bromophenyl)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-bromophenyl)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-bromophenyl)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: | 4896-4428 |
| Compound Name: | 1-{6-[5-(3-bromophenyl)furan-2-yl]-3-(methylsulfanyl)[1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}propan-1-one |
| Molecular Weight: | 523.41 |
| Molecular Formula: | C24 H19 Br N4 O3 S |
| Smiles: | CCC(N1C(c2ccc(c3cccc(c3)[Br])o2)Oc2c(c3ccccc13)nnc(n2)SC)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6668 |
| logD: | 5.6668 |
| logSw: | -5.484 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 62.043 |
| InChI Key: | BPZZSWSKVJABBL-QHCPKHFHSA-N |