5-amino-4-(4-methoxyphenyl)-7-(3-nitrophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile
Chemical Structure Depiction of
5-amino-4-(4-methoxyphenyl)-7-(3-nitrophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile
5-amino-4-(4-methoxyphenyl)-7-(3-nitrophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile
Compound characteristics
| Compound ID: | 8017-2502 |
| Compound Name: | 5-amino-4-(4-methoxyphenyl)-7-(3-nitrophenyl)-1,1-dioxo-2,3,4,7-tetrahydro-1H-1lambda~6~-thieno[3,2-b]pyridine-6-carbonitrile |
| Molecular Weight: | 438.46 |
| Molecular Formula: | C21 H18 N4 O5 S |
| Smiles: | COc1ccc(cc1)N1C2CCS(C=2C(C(C#N)=C1N)c1cccc(c1)[N+]([O-])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2245 |
| logD: | 2.2245 |
| logSw: | -2.731 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 108.946 |
| InChI Key: | PRBZYPXZMKUNAE-IBGZPJMESA-N |