1-{6-[5-(4-bromophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Chemical Structure Depiction of
1-{6-[5-(4-bromophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
1-{6-[5-(4-bromophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one
Compound characteristics
| Compound ID: | 4896-4818 |
| Compound Name: | 1-{6-[5-(4-bromophenyl)furan-2-yl]-3-[(prop-2-en-1-yl)sulfanyl][1,2,4]triazino[5,6-d][3,1]benzoxazepin-7(6H)-yl}ethan-1-one |
| Molecular Weight: | 535.42 |
| Molecular Formula: | C25 H19 Br N4 O3 S |
| Smiles: | CC(N1C(c2ccc(c3ccc(cc3)[Br])o2)Oc2c(c3ccccc13)nnc(n2)SCC=C)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.8494 |
| logD: | 5.8494 |
| logSw: | -5.5256 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.039 |
| InChI Key: | YXZDHKTZUXCONL-DEOSSOPVSA-N |