4-benzyl-5-(4-chlorophenyl)-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
4-benzyl-5-(4-chlorophenyl)-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
4-benzyl-5-(4-chlorophenyl)-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8012-4503 |
| Compound Name: | 4-benzyl-5-(4-chlorophenyl)-2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 456.99 |
| Molecular Formula: | C23 H25 Cl N4 O2 S |
| Smiles: | C1CN(CCC12OCCO2)CN1C(N(Cc2ccccc2)C(c2ccc(cc2)[Cl])=N1)=S |
| Stereo: | ACHIRAL |
| logP: | 4.5949 |
| logD: | 2.9999 |
| logSw: | -4.9075 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 38.701 |
| InChI Key: | NVGBGTRJMCTIJH-UHFFFAOYSA-N |