N-[(1H-benzotriazol-1-yl)methyl]-4-methoxy-2-nitroaniline
Chemical Structure Depiction of
N-[(1H-benzotriazol-1-yl)methyl]-4-methoxy-2-nitroaniline
N-[(1H-benzotriazol-1-yl)methyl]-4-methoxy-2-nitroaniline
Compound characteristics
| Compound ID: | 1683-0110 |
| Compound Name: | N-[(1H-benzotriazol-1-yl)methyl]-4-methoxy-2-nitroaniline |
| Molecular Weight: | 299.29 |
| Molecular Formula: | C14 H13 N5 O3 |
| Smiles: | COc1ccc(c(c1)[N+]([O-])=O)NCn1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.931 |
| logD: | 2.931 |
| logSw: | -3.3732 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.751 |
| InChI Key: | ZZPZKVKWWIWJDN-UHFFFAOYSA-N |