2-(4-bromo-3-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Chemical Structure Depiction of
2-(4-bromo-3-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
2-(4-bromo-3-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one
Compound characteristics
| Compound ID: | 3030-2329 |
| Compound Name: | 2-(4-bromo-3-nitrophenyl)-7-methyl-2,3,5,6,7,8-hexahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-4(1H)-one |
| Molecular Weight: | 423.29 |
| Molecular Formula: | C16 H15 Br N4 O3 S |
| Smiles: | CN1CCc2c3C(NC(c4ccc(c(c4)[N+]([O-])=O)[Br])Nc3sc2C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.3986 |
| logD: | 1.4616 |
| logSw: | -2.9806 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.69 |
| InChI Key: | DUYBKUVWMWZCHH-CQSZACIVSA-N |