3-({[1-(3,4-dichlorophenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Chemical Structure Depiction of
3-({[1-(3,4-dichlorophenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
3-({[1-(3,4-dichlorophenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine
Compound characteristics
| Compound ID: | 8019-0464 |
| Compound Name: | 3-({[1-(3,4-dichlorophenyl)-1H-tetrazol-5-yl]methyl}sulfanyl)-5,7-dimethyl[1,2,4]triazolo[4,3-a]pyrimidine |
| Molecular Weight: | 407.28 |
| Molecular Formula: | C15 H12 Cl2 N8 S |
| Smiles: | Cc1cc(C)n2c(nnc2n1)SCc1nnnn1c1ccc(c(c1)[Cl])[Cl] |
| Stereo: | ACHIRAL |
| logP: | 2.9489 |
| logD: | 2.9489 |
| logSw: | -3.2975 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 71.969 |
| InChI Key: | ZQKILLRTACVSEB-UHFFFAOYSA-N |