methyl 4-[(3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]benzoate
methyl 4-[(3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 5518-1693 |
| Compound Name: | methyl 4-[(3-amino-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]benzoate |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(c1c(c2cc3CCCCCc3nc2s1)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6468 |
| logD: | 4.6455 |
| logSw: | -4.5752 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.363 |
| InChI Key: | WWJLWVFSRTYSED-UHFFFAOYSA-N |