N-{2-[(butylamino)(phenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridin-3-yl}-4-nitrobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{2-[(butylamino)(phenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridin-3-yl}-4-nitrobenzamide--hydrogen chloride (1/1)
N-{2-[(butylamino)(phenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridin-3-yl}-4-nitrobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-8874 |
| Compound Name: | N-{2-[(butylamino)(phenyl)methyl]-4,6-dimethylthieno[2,3-b]pyridin-3-yl}-4-nitrobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 525.07 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Salt: | HCl |
| Smiles: | CCCCNC(c1ccccc1)c1c(c2c(C)cc(C)nc2s1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4909 |
| logD: | 4.141 |
| logSw: | -5.6049 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 75.593 |
| InChI Key: | GTRYXZDJZOWIHS-HSZRJFAPSA-N |