ethyl 2-[(1,3-benzothiazol-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-benzothiazol-2-yl)amino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 7567-0156 |
| Compound Name: | ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 444.55 |
| Molecular Formula: | C18 H16 N6 O2 S3 |
| Smiles: | CCOC(c1cnc(Nc2nc3ccccc3s2)nc1CSc1nnc(C)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4671 |
| logD: | 4.4653 |
| logSw: | -4.1481 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 83.559 |
| InChI Key: | LNDZTNGTWBLJGI-UHFFFAOYSA-N |