methyl 4-[(2-{[(pyridin-3-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(2-{[(pyridin-3-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
methyl 4-[(2-{[(pyridin-3-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | K801-0400 |
| Compound Name: | methyl 4-[(2-{[(pyridin-3-yl)methyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]benzoate |
| Molecular Weight: | 421.52 |
| Molecular Formula: | C23 H23 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(c1c2CCCCc2sc1NCc1cccnc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1253 |
| logD: | 4.1149 |
| logSw: | -4.1993 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.971 |
| InChI Key: | YELKOMDLELSXKT-UHFFFAOYSA-N |