ethyl 4-amino-2-({2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 4-amino-2-({2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
ethyl 4-amino-2-({2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | D133-0060 |
| Compound Name: | ethyl 4-amino-2-({2-[(1,3-benzothiazol-2-yl)amino]-2-oxoethyl}sulfanyl)pyrimidine-5-carboxylate |
| Molecular Weight: | 389.45 |
| Molecular Formula: | C16 H15 N5 O3 S2 |
| Smiles: | CCOC(c1cnc(nc1N)SCC(Nc1nc2ccccc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0394 |
| logD: | 3.0393 |
| logSw: | -3.355 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.143 |
| InChI Key: | FGYIIOYNCPOJHJ-UHFFFAOYSA-N |