ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
Compound ID: | 7695-1265 |
Compound Name: | ethyl 2-[(1,3-benzothiazol-2-yl)amino]-4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}pyrimidine-5-carboxylate |
Molecular Weight: | 479.6 |
Molecular Formula: | C22 H17 N5 O2 S3 |
Smiles: | CCOC(c1cnc(Nc2nc3ccccc3s2)nc1CSc1nc2ccccc2s1)=O |
Stereo: | ACHIRAL |
logP: | 6.5896 |
logD: | 6.5877 |
logSw: | -5.5823 |
Hydrogen bond acceptors count: | 8 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 69.969 |
InChI Key: | XNPXIKYILFXHPO-UHFFFAOYSA-N |