N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide
Compound characteristics
| Compound ID: | Y501-7823 |
| Compound Name: | N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-3-[(4-nitro-1H-pyrazol-1-yl)methyl]benzamide |
| Molecular Weight: | 491.61 |
| Molecular Formula: | C26 H29 N5 O3 S |
| Smiles: | C1CCCCCc2c(CCCC1)c(C#N)c(NC(c1cccc(Cn3cc(cn3)[N+]([O-])=O)c1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 6.2497 |
| logD: | 3.1067 |
| logSw: | -5.7135 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.319 |
| InChI Key: | FEVJLGSSGMHUJK-UHFFFAOYSA-N |