N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide
Compound characteristics
| Compound ID: | Y501-8854 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-2-(4-nitro-1H-pyrazol-1-yl)acetamide |
| Molecular Weight: | 415.51 |
| Molecular Formula: | C20 H25 N5 O3 S |
| Smiles: | C1CCCCCc2c(CCCC1)c(C#N)c(NC(Cn1cc(cn1)[N+]([O-])=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 5.1469 |
| logD: | 3.9787 |
| logSw: | -5.1109 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.377 |
| InChI Key: | HKFHZBDRUBZESO-UHFFFAOYSA-N |