methyl 4-[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 4-[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]benzoate
methyl 4-[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | 5518-1714 |
| Compound Name: | methyl 4-[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]benzoate |
| Molecular Weight: | 409.51 |
| Molecular Formula: | C22 H23 N3 O3 S |
| Smiles: | COC(c1ccc(cc1)NC(c1c(c2cc3CCCCCCc3nc2s1)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1427 |
| logD: | 5.1419 |
| logSw: | -5.1556 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 75.363 |
| InChI Key: | ORBYRHOIMRUERM-UHFFFAOYSA-N |