N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-2260 |
| Compound Name: | N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-methyl-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C18 H21 N5 O3 S |
| Smiles: | Cn1cc(c(C(Nc2nc(cs2)C23CC4CC(CC(C4)C3)C2)=O)n1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 4.343 |
| logD: | 3.0041 |
| logSw: | -4.3 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 81.574 |
| InChI Key: | SIHFVHAUDUQOLV-UHFFFAOYSA-N |