2-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenoxy)-6-(propan-2-yl)pyrimidine
Chemical Structure Depiction of
2-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenoxy)-6-(propan-2-yl)pyrimidine
2-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenoxy)-6-(propan-2-yl)pyrimidine
Compound characteristics
| Compound ID: | V006-0903 |
| Compound Name: | 2-{[(3-methylphenyl)methyl]sulfanyl}-4-(4-nitrophenoxy)-6-(propan-2-yl)pyrimidine |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)c1cc(nc(n1)SCc1cccc(C)c1)Oc1ccc(cc1)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 6.4485 |
| logD: | 6.4485 |
| logSw: | -5.7465 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 57.29 |
| InChI Key: | XIENOMWWHOUTRL-UHFFFAOYSA-N |