N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D244-0051 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-{[(2-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide |
| Molecular Weight: | 427.91 |
| Molecular Formula: | C21 H18 Cl N3 O3 S |
| Smiles: | [H]N(Cc1ccc2c(c1)OCO2)C(c1c(cnc(n1)SCc1ccccc1C)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 5.1262 |
| logD: | 5.1261 |
| logSw: | -5.5919 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.081 |
| InChI Key: | HJLVSIMNGMMUQY-UHFFFAOYSA-N |