propan-2-yl 2-{[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-{[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
propan-2-yl 2-{[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y500-8288 |
| Compound Name: | propan-2-yl 2-{[1-(adamantan-1-yl)-4-nitro-1H-pyrazole-3-carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 512.63 |
| Molecular Formula: | C26 H32 N4 O5 S |
| Smiles: | CC(C)OC(c1c2CCCCc2sc1NC(c1c(cn(C23CC4CC(CC(C4)C3)C2)n1)[N+]([O-])=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.999 |
| logD: | 0.7247 |
| logSw: | -5.5172 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.154 |
| InChI Key: | LNWOWVIFBXHIAH-UHFFFAOYSA-N |