5-(2-chlorophenyl)-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(2-chlorophenyl)-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(2-chlorophenyl)-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
Compound ID: | 8009-9995 |
Compound Name: | 5-(2-chlorophenyl)-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-methyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
Molecular Weight: | 380.89 |
Molecular Formula: | C17 H21 Cl N4 O2 S |
Smiles: | CN1C(c2ccccc2[Cl])=NN(CN2CCC3(CC2)OCCO3)C1=S |
Stereo: | ACHIRAL |
logP: | 2.5734 |
logD: | 0.7766 |
logSw: | -3.4071 |
Hydrogen bond acceptors count: | 6 |
Polar surface area: | 38.739 |
InChI Key: | FOZPCMCUWMMSCE-UHFFFAOYSA-N |