N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Chemical Structure Depiction of
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide
Compound characteristics
| Compound ID: | 6049-2569 |
| Compound Name: | N-(6-methyl-1,3-benzothiazol-2-yl)-3-(3-nitro-1H-1,2,4-triazol-1-yl)adamantane-1-carboxamide |
| Molecular Weight: | 438.51 |
| Molecular Formula: | C21 H22 N6 O3 S |
| Smiles: | Cc1ccc2c(c1)sc(NC(C13CC4CC(C1)CC(C4)(C3)n1cnc(n1)[N+]([O-])=O)=O)n2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.0032 |
| logD: | 5.0019 |
| logSw: | -4.8229 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.031 |
| InChI Key: | PGQBAXISTLVJQF-UHFFFAOYSA-N |