N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-{[(4-methylphenyl)methyl]sulfanyl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0105 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-{[(4-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)SCc1ccc(C)cc1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 4.4718 |
| logD: | 4.4718 |
| logSw: | -4.5013 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.081 |
| InChI Key: | GYAQAVHFURTWKC-UHFFFAOYSA-N |