(4-bromophenyl)[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone
Chemical Structure Depiction of
(4-bromophenyl)[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone
(4-bromophenyl)[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone
Compound characteristics
| Compound ID: | 4896-4807 |
| Compound Name: | (4-bromophenyl)[3-(butylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]methanone |
| Molecular Weight: | 471.37 |
| Molecular Formula: | C21 H19 Br N4 O2 S |
| Smiles: | CCCCSc1nc2c(c3ccccc3NC(C(c3ccc(cc3)[Br])=O)O2)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.443 |
| logD: | 5.4428 |
| logSw: | -5.3152 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.036 |
| InChI Key: | JCCJIPROYMOUPF-FQEVSTJZSA-N |