3-bromo-1-{[(4H-1,2,4-triazol-4-yl)imino]methyl}-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol
Chemical Structure Depiction of
3-bromo-1-{[(4H-1,2,4-triazol-4-yl)imino]methyl}-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol
3-bromo-1-{[(4H-1,2,4-triazol-4-yl)imino]methyl}-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol
Compound characteristics
| Compound ID: | 2729-0133 |
| Compound Name: | 3-bromo-1-{[(4H-1,2,4-triazol-4-yl)imino]methyl}-6,7,8,9-tetrahydrodibenzo[b,d]furan-2-ol |
| Molecular Weight: | 361.2 |
| Molecular Formula: | C15 H13 Br N4 O2 |
| Smiles: | C1CCc2c(C1)c1c(\C=N/n3cnnc3)c(c(cc1o2)[Br])O |
| Stereo: | ACHIRAL |
| logP: | 2.7222 |
| logD: | 2.3966 |
| logSw: | -2.8801 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 57.801 |
| InChI Key: | MWVCIRPGMLOIAZ-UHFFFAOYSA-N |