methyl 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
methyl 3-amino-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate
methyl 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: | K285-5170 |
| Compound Name: | methyl 3-amino-2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-methyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxylate |
| Molecular Weight: | 468.35 |
| Molecular Formula: | C17 H14 Br N3 O4 S2 |
| Smiles: | Cc1c2C(N(C(=Nc2sc1C(=O)OC)SCC(c1ccc(cc1)[Br])=O)N)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0174 |
| logD: | 3.0174 |
| logSw: | -3.2476 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.871 |
| InChI Key: | KLQDLWDPWLJXMT-UHFFFAOYSA-N |