2-({[1-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl)naphthalen-2-yl]oxy}carbonyl)benzoic acid
Chemical Structure Depiction of
2-({[1-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl)naphthalen-2-yl]oxy}carbonyl)benzoic acid
2-({[1-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl)naphthalen-2-yl]oxy}carbonyl)benzoic acid
Compound characteristics
| Compound ID: | 8001-3486 |
| Compound Name: | 2-({[1-({[3-(ethoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]imino}methyl)naphthalen-2-yl]oxy}carbonyl)benzoic acid |
| Molecular Weight: | 527.6 |
| Molecular Formula: | C30 H25 N O6 S |
| Smiles: | CCOC(c1c2CCCCc2sc1/N=C/c1c(ccc2ccccc12)OC(c1ccccc1C(O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.3951 |
| logD: | 1.9155 |
| logSw: | -6.4486 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.436 |
| InChI Key: | FKJFHRWQYRJCOA-UHFFFAOYSA-N |