N-(4-bromo-2-methylphenyl)-2,3,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(4-bromo-2-methylphenyl)-2,3,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
N-(4-bromo-2-methylphenyl)-2,3,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K823-0055 |
| Compound Name: | N-(4-bromo-2-methylphenyl)-2,3,5-trimethyl-4-oxo-3,4-dihydrothieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 406.3 |
| Molecular Formula: | C17 H16 Br N3 O2 S |
| Smiles: | CC1=Nc2c(C(N1C)=O)c(C)c(C(Nc1ccc(cc1C)[Br])=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.3729 |
| logD: | 3.2881 |
| logSw: | -3.7265 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 46.718 |
| InChI Key: | VSTMWPNVWYWUSF-UHFFFAOYSA-N |