1-{1-(4-chlorophenyl)-5-[(2,3-dihydro-1H-inden-5-yl)amino]-1H-1,2,3-triazol-4-yl}ethan-1-one
Chemical Structure Depiction of
1-{1-(4-chlorophenyl)-5-[(2,3-dihydro-1H-inden-5-yl)amino]-1H-1,2,3-triazol-4-yl}ethan-1-one
1-{1-(4-chlorophenyl)-5-[(2,3-dihydro-1H-inden-5-yl)amino]-1H-1,2,3-triazol-4-yl}ethan-1-one
Compound characteristics
| Compound ID: | D112-0027 |
| Compound Name: | 1-{1-(4-chlorophenyl)-5-[(2,3-dihydro-1H-inden-5-yl)amino]-1H-1,2,3-triazol-4-yl}ethan-1-one |
| Molecular Weight: | 352.82 |
| Molecular Formula: | C19 H17 Cl N4 O |
| Smiles: | CC(c1c(Nc2ccc3CCCc3c2)n(c2ccc(cc2)[Cl])nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4212 |
| logD: | 4.4212 |
| logSw: | -4.5642 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.779 |
| InChI Key: | VRGDTAHTSDIXPP-UHFFFAOYSA-N |