ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 6809-0099 |
| Compound Name: | ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 428.49 |
| Molecular Formula: | C18 H16 N6 O3 S2 |
| Smiles: | CCOC(c1cnc(Nc2nc3ccccc3o2)nc1CSc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.699 |
| logD: | 3.6933 |
| logSw: | -3.7458 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.192 |
| InChI Key: | RHOJAIZTIREOJL-UHFFFAOYSA-N |