rel-(3aR,7aS)-5-chloro-2-(4H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
rel-(3aR,7aS)-5-chloro-2-(4H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
rel-(3aR,7aS)-5-chloro-2-(4H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | 8014-1423 |
| Compound Name: | rel-(3aR,7aS)-5-chloro-2-(4H-1,2,4-triazol-3-yl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 252.66 |
| Molecular Formula: | C10 H9 Cl N4 O2 |
| Smiles: | C1C=C(C[C@H]2C(N(C([C@@H]12)=O)c1nnc[nH]1)=O)[Cl] |
| Stereo: | RELATIVE |
| logP: | -0.2265 |
| logD: | -1.6716 |
| logSw: | -2.0131 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.702 |
| InChI Key: | GHQNMKXHBGBQQQ-NKWVEPMBSA-N |