2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Chemical Structure Depiction of
2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Compound characteristics
| Compound ID: | 8009-6527 |
| Compound Name: | 2-[(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)methyl]-5-(4-methoxyphenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C23 H26 N4 O3 S |
| Smiles: | COc1ccc(cc1)C1=NN(CN2CCC3(CC2)OCCO3)C(N1c1ccccc1)=S |
| Stereo: | ACHIRAL |
| logP: | 3.3853 |
| logD: | 2.9956 |
| logSw: | -3.6154 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 45.634 |
| InChI Key: | XIEMRCOKZJQMDB-UHFFFAOYSA-N |