2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-methyl-6-(4-nitrophenoxy)pyrimidine
Chemical Structure Depiction of
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-methyl-6-(4-nitrophenoxy)pyrimidine
2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-methyl-6-(4-nitrophenoxy)pyrimidine
Compound characteristics
| Compound ID: | V031-3011 |
| Compound Name: | 2-{[(4-tert-butylphenyl)methyl]sulfanyl}-4-methyl-6-(4-nitrophenoxy)pyrimidine |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Salt: | not_available |
| Smiles: | Cc1cc(nc(n1)SCc1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.2341 |
| logD: | 6.2341 |
| logSw: | -5.6009 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.096 |
| InChI Key: | IUTPIWBABXZIDQ-UHFFFAOYSA-N |