N-{2-[(butylamino)(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}-4-nitrobenzamide--hydrogen chloride (1/1)
Chemical Structure Depiction of
N-{2-[(butylamino)(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}-4-nitrobenzamide--hydrogen chloride (1/1)
N-{2-[(butylamino)(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}-4-nitrobenzamide--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | 8018-8873 |
| Compound Name: | N-{2-[(butylamino)(phenyl)methyl]-4-(methoxymethyl)-6-methylthieno[2,3-b]pyridin-3-yl}-4-nitrobenzamide--hydrogen chloride (1/1) |
| Molecular Weight: | 555.1 |
| Molecular Formula: | C28 H30 N4 O4 S |
| Salt: | HCl |
| Smiles: | CCCCNC(c1ccccc1)c1c(c2c(COC)cc(C)nc2s1)NC(c1ccc(cc1)[N+]([O-])=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9953 |
| logD: | 3.6454 |
| logSw: | -4.8812 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.017 |
| InChI Key: | JGRPMBJROBKLTM-XMMPIXPASA-N |