N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0040 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-5-chloro-2-(methylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 337.78 |
| Molecular Formula: | C14 H12 Cl N3 O3 S |
| Smiles: | [H]N(Cc1ccc2c(c1)OCO2)C(c1c(cnc(n1)SC)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 2.8438 |
| logD: | 2.8437 |
| logSw: | -3.4633 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.353 |
| InChI Key: | BTUOJXNXCKRGEW-UHFFFAOYSA-N |