ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(piperidine-1-carbothioyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(piperidine-1-carbothioyl)sulfanyl]methyl}pyrimidine-5-carboxylate
ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(piperidine-1-carbothioyl)sulfanyl]methyl}pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | 7377-5534 |
| Compound Name: | ethyl 2-[(1,3-benzoxazol-2-yl)amino]-4-{[(piperidine-1-carbothioyl)sulfanyl]methyl}pyrimidine-5-carboxylate |
| Molecular Weight: | 457.57 |
| Molecular Formula: | C21 H23 N5 O3 S2 |
| Smiles: | CCOC(c1cnc(Nc2nc3ccccc3o2)nc1CSC(N1CCCCC1)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.94 |
| logD: | 4.9342 |
| logSw: | -4.3651 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.612 |
| InChI Key: | KIPVPYZOKIOHKZ-UHFFFAOYSA-N |