N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-1793 |
| Compound Name: | N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-1-methyl-4-nitro-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 387.46 |
| Molecular Formula: | C18 H21 N5 O3 S |
| Smiles: | [H][C@@]12C[C@@]3([H])C[C@@]([H])(C1)C[C@@](C2)(C3)c1csc(NC(c2c(cnn2C)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.4245 |
| logD: | 2.2241 |
| logSw: | -4.2908 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.734 |
| InChI Key: | NWSJNUFBYZXXKN-UHFFFAOYSA-N |