(1H-benzotriazol-1-yl)(4,5-dimethoxy-2-nitrophenyl)methanone
Chemical Structure Depiction of
(1H-benzotriazol-1-yl)(4,5-dimethoxy-2-nitrophenyl)methanone
(1H-benzotriazol-1-yl)(4,5-dimethoxy-2-nitrophenyl)methanone
Compound characteristics
| Compound ID: | Y032-0245 |
| Compound Name: | (1H-benzotriazol-1-yl)(4,5-dimethoxy-2-nitrophenyl)methanone |
| Molecular Weight: | 328.28 |
| Molecular Formula: | C15 H12 N4 O5 |
| Smiles: | COc1cc(C(n2c3ccccc3nn2)=O)c(cc1OC)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 1.7061 |
| logD: | 1.7061 |
| logSw: | -2.3496 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 87.338 |
| InChI Key: | NYISPUGFIMCLLQ-UHFFFAOYSA-N |