2-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Chemical Structure Depiction of
2-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
2-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine
Compound characteristics
| Compound ID: | 4072-2790 |
| Compound Name: | 2-{[4-chloro-5-methyl-2-(propan-2-yl)phenoxy]methyl}-9,10,11,12-tetrahydro-8H-cyclohepta[4,5]thieno[3,2-e][1,2,4]triazolo[1,5-c]pyrimidine |
| Molecular Weight: | 440.99 |
| Molecular Formula: | C23 H25 Cl N4 O S |
| Smiles: | CC(C)c1cc(c(C)cc1OCc1nc2c3c4CCCCCc4sc3N=Cn2n1)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 6.7293 |
| logD: | 6.7275 |
| logSw: | -6.8312 |
| Hydrogen bond acceptors count: | 4 |
| Polar surface area: | 42.483 |
| InChI Key: | JYQPXZFJKHFCAY-UHFFFAOYSA-N |