1,1-dichloro-4-[(4-ethoxyphenyl)imino]-N-[2-(1H-indol-3-yl)ethyl]-3-nitro-4-(1H-1,2,4-triazol-1-yl)but-2-en-2-amine
Chemical Structure Depiction of
1,1-dichloro-4-[(4-ethoxyphenyl)imino]-N-[2-(1H-indol-3-yl)ethyl]-3-nitro-4-(1H-1,2,4-triazol-1-yl)but-2-en-2-amine
1,1-dichloro-4-[(4-ethoxyphenyl)imino]-N-[2-(1H-indol-3-yl)ethyl]-3-nitro-4-(1H-1,2,4-triazol-1-yl)but-2-en-2-amine
Compound characteristics
| Compound ID: | 4872-0800 |
| Compound Name: | 1,1-dichloro-4-[(4-ethoxyphenyl)imino]-N-[2-(1H-indol-3-yl)ethyl]-3-nitro-4-(1H-1,2,4-triazol-1-yl)but-2-en-2-amine |
| Molecular Weight: | 528.4 |
| Molecular Formula: | C24 H23 Cl2 N7 O3 |
| Smiles: | CCOc1ccc(cc1)/N=C(/C(=C(\C([Cl])[Cl])NCCc1c[nH]c2ccccc12)[N+]([O-])=O)n1cncn1 |
| Stereo: | ACHIRAL |
| logP: | 4.2201 |
| logD: | 3.9453 |
| logSw: | -4.2513 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.717 |
| InChI Key: | KXCIPYULSIMPAQ-UHFFFAOYSA-N |