ethyl 2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-(phenylcarbamamido)pyrimidine-5-carboxylate
Chemical Structure Depiction of
ethyl 2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-(phenylcarbamamido)pyrimidine-5-carboxylate
ethyl 2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-(phenylcarbamamido)pyrimidine-5-carboxylate
Compound characteristics
| Compound ID: | E540-0816 |
| Compound Name: | ethyl 2-[(2-{[(furan-2-yl)methyl]amino}-2-oxoethyl)sulfanyl]-4-(phenylcarbamamido)pyrimidine-5-carboxylate |
| Molecular Weight: | 455.49 |
| Molecular Formula: | C21 H21 N5 O5 S |
| Smiles: | CCOC(c1cnc(nc1NC(Nc1ccccc1)=O)SCC(NCc1ccco1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6653 |
| logD: | 2.5765 |
| logSw: | -3.6709 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.699 |
| InChI Key: | NQKMPPCPIKWGJT-UHFFFAOYSA-N |