ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-methyl-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-methyl-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-methyl-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 7567-0473 |
| Compound Name: | ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-methyl-6-{[(1-phenyl-1H-tetrazol-5-yl)sulfanyl]methyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 488.53 |
| Molecular Formula: | C23 H20 N8 O3 S |
| Smiles: | CCOC(c1c(C)nc(Nc2nc3ccccc3o2)nc1CSc1nnnn1c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6445 |
| logD: | 4.6132 |
| logSw: | -4.4832 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 109.497 |
| InChI Key: | LPWJOVYMIHJFSZ-UHFFFAOYSA-N |