N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-4-nitro-1H-pyrazole-3-carboxamide
N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y502-1397 |
| Compound Name: | N-[4-(adamantan-1-yl)-1,3-thiazol-2-yl]-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 373.43 |
| Molecular Formula: | C17 H19 N5 O3 S |
| Smiles: | C1C2CC3CC1CC(C2)(C3)c1csc(NC(c2c(c[nH]n2)[N+]([O-])=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.6532 |
| logD: | 3.1394 |
| logSw: | -4.64 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.68 |
| InChI Key: | KMPUZPLKFVYNSI-UHFFFAOYSA-N |