N-{2-[(adamantan-1-yl)oxy]ethyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-{2-[(adamantan-1-yl)oxy]ethyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-{2-[(adamantan-1-yl)oxy]ethyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
Compound ID: | E146-1703 |
Compound Name: | N-{2-[(adamantan-1-yl)oxy]ethyl}-1-methyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
Molecular Weight: | 423.58 |
Molecular Formula: | C24 H29 N3 O2 S |
Smiles: | Cn1c2c3ccccc3SCc2c(C(NCCOC23CC4CC(CC(C4)C3)C2)=O)n1 |
Stereo: | ACHIRAL |
logP: | 4.3848 |
logD: | 4.3848 |
logSw: | -4.3996 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 45.077 |
InChI Key: | SVCXTCCWNGHIBU-UHFFFAOYSA-N |