4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoic acid
Chemical Structure Depiction of
4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoic acid
4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoic acid
Compound characteristics
| Compound ID: | 4896-4044 |
| Compound Name: | 4-[10-bromo-3-(ethylsulfanyl)-6,7-dihydro[1,2,4]triazino[5,6-d][3,1]benzoxazepin-6-yl]benzoic acid |
| Molecular Weight: | 459.32 |
| Molecular Formula: | C19 H15 Br N4 O3 S |
| Smiles: | CCSc1nc2c(c3cc(ccc3NC(c3ccc(cc3)C(O)=O)O2)[Br])nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.8126 |
| logD: | 1.8411 |
| logSw: | -4.383 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.706 |
| InChI Key: | MTEHHLWDNBSDMW-MRXNPFEDSA-N |