N-[(2-chlorophenyl)methyl]-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Chemical Structure Depiction of
N-[(2-chlorophenyl)methyl]-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
N-[(2-chlorophenyl)methyl]-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide
Compound characteristics
Compound ID: | G541-0605 |
Compound Name: | N-[(2-chlorophenyl)methyl]-1,8-dimethyl-1,4-dihydro[1]benzothiopyrano[4,3-c]pyrazole-3-carboxamide |
Molecular Weight: | 383.9 |
Molecular Formula: | C20 H18 Cl N3 O S |
Smiles: | Cc1ccc2c(c1)c1c(CS2)c(C(NCc2ccccc2[Cl])=O)nn1C |
Stereo: | ACHIRAL |
logP: | 4.3273 |
logD: | 4.3273 |
logSw: | -4.4885 |
Hydrogen bond acceptors count: | 4 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 38.975 |
InChI Key: | FOBVJHGKQPPLDD-UHFFFAOYSA-N |