ethyl 3-amino-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Chemical Structure Depiction of
ethyl 3-amino-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
ethyl 3-amino-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
Compound characteristics
| Compound ID: | K285-5176 |
| Compound Name: | ethyl 3-amino-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 482.37 |
| Molecular Formula: | C18 H16 Br N3 O4 S2 |
| Smiles: | CCOC(c1c(C)c2C(N(C(=Nc2s1)SCC(c1ccc(cc1)[Br])=O)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4371 |
| logD: | 3.4371 |
| logSw: | -3.8318 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.451 |
| InChI Key: | CAFHAGOGNTYAJD-UHFFFAOYSA-N |