4-[2-(3,4-diethoxyphenyl)ethyl]-5-[(1,2,3,4-tetrahydro-9H-carbazol-9-yl)methyl]-4H-1,2,4-triazole-3-thiol
Chemical Structure Depiction of
4-[2-(3,4-diethoxyphenyl)ethyl]-5-[(1,2,3,4-tetrahydro-9H-carbazol-9-yl)methyl]-4H-1,2,4-triazole-3-thiol
4-[2-(3,4-diethoxyphenyl)ethyl]-5-[(1,2,3,4-tetrahydro-9H-carbazol-9-yl)methyl]-4H-1,2,4-triazole-3-thiol
Compound characteristics
| Compound ID: | Y502-5665 |
| Compound Name: | 4-[2-(3,4-diethoxyphenyl)ethyl]-5-[(1,2,3,4-tetrahydro-9H-carbazol-9-yl)methyl]-4H-1,2,4-triazole-3-thiol |
| Molecular Weight: | 476.64 |
| Molecular Formula: | C27 H32 N4 O2 S |
| Smiles: | CCOc1ccc(CCn2c(Cn3c4CCCCc4c4ccccc34)nnc2S)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 4.6683 |
| logD: | 4.4606 |
| logSw: | -4.4647 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 39.467 |
| InChI Key: | RTJJHUXGKNZLIB-UHFFFAOYSA-N |