methyl 2-[(1,3-benzothiazol-2-yl)amino]-5-(methoxymethyl)pyrimidine-4-carboxylate
Chemical Structure Depiction of
methyl 2-[(1,3-benzothiazol-2-yl)amino]-5-(methoxymethyl)pyrimidine-4-carboxylate
methyl 2-[(1,3-benzothiazol-2-yl)amino]-5-(methoxymethyl)pyrimidine-4-carboxylate
Compound characteristics
| Compound ID: | 8016-8510 |
| Compound Name: | methyl 2-[(1,3-benzothiazol-2-yl)amino]-5-(methoxymethyl)pyrimidine-4-carboxylate |
| Molecular Weight: | 330.36 |
| Molecular Formula: | C15 H14 N4 O3 S |
| Smiles: | COCc1cnc(Nc2nc3ccccc3s2)nc1C(=O)OC |
| Stereo: | ACHIRAL |
| logP: | 3.0511 |
| logD: | 3.051 |
| logSw: | -3.2929 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 69.507 |
| InChI Key: | LMPRQLRKPUVEOQ-UHFFFAOYSA-N |