1-(adamantan-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
Chemical Structure Depiction of
1-(adamantan-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
1-(adamantan-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide
Compound characteristics
| Compound ID: | Y500-6307 |
| Compound Name: | 1-(adamantan-1-yl)-N-(6-methyl-1,3-benzothiazol-2-yl)-4-nitro-1H-pyrazole-3-carboxamide |
| Molecular Weight: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(NC(c1c(cn(C34CC5CC(CC(C5)C4)C3)n1)[N+]([O-])=O)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 5.628 |
| logD: | 5.5814 |
| logSw: | -5.3306 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.768 |
| InChI Key: | PMBHTTNTQPXALO-UHFFFAOYSA-N |