N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-1362 |
| Compound Name: | N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-ethyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 401.49 |
| Molecular Formula: | C19 H23 N5 O3 S |
| Smiles: | CCn1c(C(Nc2nc(cs2)C23CC4CC(CC(C4)C3)C2)=O)c(cn1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.8714 |
| logD: | 2.6915 |
| logSw: | -4.6416 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.173 |
| InChI Key: | JRJLASBPDAXSRS-UHFFFAOYSA-N |