(azepan-1-yl){5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanone
Chemical Structure Depiction of
(azepan-1-yl){5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanone
(azepan-1-yl){5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanone
Compound characteristics
| Compound ID: | Y501-3819 |
| Compound Name: | (azepan-1-yl){5-[(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)methyl]furan-2-yl}methanone |
| Molecular Weight: | 366.8 |
| Molecular Formula: | C16 H19 Cl N4 O4 |
| Smiles: | Cc1c(c(nn1Cc1ccc(C(N2CCCCCC2)=O)o1)[N+]([O-])=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.8713 |
| logD: | 2.8713 |
| logSw: | -3.6543 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.078 |
| InChI Key: | UUFHDHOBZLCKTG-UHFFFAOYSA-N |