ethyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(1,3-benzoxazol-2-yl)amino]pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(1,3-benzoxazol-2-yl)amino]pyrimidine-5-carboxylate
ethyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(1,3-benzoxazol-2-yl)amino]pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 6809-0110 |
| Compound Name: | ethyl 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}-2-[(1,3-benzoxazol-2-yl)amino]pyrimidine-5-carboxylate |
| Molecular Weight: | 463.54 |
| Molecular Formula: | C22 H17 N5 O3 S2 |
| Smiles: | CCOC(c1cnc(Nc2nc3ccccc3o2)nc1CSc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.8215 |
| logD: | 5.8157 |
| logSw: | -5.3563 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.602 |
| InChI Key: | YNHYCOHULKCFEE-UHFFFAOYSA-N |