ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-(chloromethyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-(chloromethyl)pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-(chloromethyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 8451-05104 |
| Compound Name: | ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-(chloromethyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 332.74 |
| Molecular Formula: | C15 H13 Cl N4 O3 |
| Smiles: | CCOC(c1cnc(Nc2nc3ccccc3o2)nc1C[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 3.4464 |
| logD: | 3.4407 |
| logSw: | -3.5331 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.792 |
| InChI Key: | NWQCBGBLNZFWJF-UHFFFAOYSA-N |