N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-methylaniline
Chemical Structure Depiction of
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-methylaniline
N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-methylaniline
Compound characteristics
| Compound ID: | 8001-7397 |
| Compound Name: | N-[1-(1H-benzotriazol-1-yl)-3,4,4-trichloro-2-nitrobuta-1,3-dien-1-yl]-3-methylaniline |
| Molecular Weight: | 424.67 |
| Molecular Formula: | C17 H12 Cl3 N5 O2 |
| Smiles: | Cc1cccc(c1)N/C(=C(/C(=C([Cl])[Cl])[Cl])[N+]([O-])=O)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 5.4274 |
| logD: | 5.3683 |
| logSw: | -5.9212 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.144 |
| InChI Key: | KUCLKSBXUXTJAS-UHFFFAOYSA-N |