N-(4-fluorophenyl)-4-(morpholin-4-yl)-6-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazin-2-amine--acetic acid (1/1)
Chemical Structure Depiction of
N-(4-fluorophenyl)-4-(morpholin-4-yl)-6-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazin-2-amine--acetic acid (1/1)
N-(4-fluorophenyl)-4-(morpholin-4-yl)-6-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazin-2-amine--acetic acid (1/1)
Compound characteristics
| Compound ID: | 8006-9087 |
| Compound Name: | N-(4-fluorophenyl)-4-(morpholin-4-yl)-6-{2-[(6-nitro-2H-1,3-benzodioxol-5-yl)methylidene]hydrazinyl}-1,3,5-triazin-2-amine--acetic acid (1/1) |
| Molecular Weight: | 542.48 |
| Molecular Formula: | C21 H19 F N8 O5 |
| Salt: | CH3COOH |
| Smiles: | C1COCCN1c1nc(Nc2ccc(cc2)F)nc(N/N=C/c2cc3c(cc2[N+]([O-])=O)OCO3)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.8703 |
| logD: | 4.8701 |
| logSw: | -4.9802 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.907 |
| InChI Key: | UKTFKVPPTNVRPH-FOKLQQMPSA-N |