5-(4-chlorophenyl)-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
5-(4-chlorophenyl)-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
5-(4-chlorophenyl)-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8012-4500 |
| Compound Name: | 5-(4-chlorophenyl)-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 442.97 |
| Molecular Formula: | C22 H23 Cl N4 O2 S |
| Smiles: | C1CN(CCC12OCCO2)CN1C(N(C(c2ccc(cc2)[Cl])=N1)c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.9976 |
| logD: | 3.6079 |
| logSw: | -4.6143 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.09 |
| InChI Key: | BITRTEQMOLSCLS-UHFFFAOYSA-N |