4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-tert-butyl-2-{[(3-chlorophenyl)methyl]sulfanyl}pyrimidine
Chemical Structure Depiction of
4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-tert-butyl-2-{[(3-chlorophenyl)methyl]sulfanyl}pyrimidine
4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-tert-butyl-2-{[(3-chlorophenyl)methyl]sulfanyl}pyrimidine
Compound characteristics
| Compound ID: | V011-0662 |
| Compound Name: | 4-[(2H-1,3-benzodioxol-5-yl)oxy]-6-tert-butyl-2-{[(3-chlorophenyl)methyl]sulfanyl}pyrimidine |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C22 H21 Cl N2 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)(C)c1cc(nc(n1)SCc1cccc(c1)[Cl])Oc1ccc2c(c1)OCO2 |
| Stereo: | ACHIRAL |
| logP: | 6.5401 |
| logD: | 6.5401 |
| logSw: | -6.3676 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 41.024 |
| InChI Key: | ZNAJTTLPKZDVRQ-UHFFFAOYSA-N |