4-[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]benzoic acid
Chemical Structure Depiction of
4-[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]benzoic acid
4-[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]benzoic acid
Compound characteristics
| Compound ID: | 5518-1726 |
| Compound Name: | 4-[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]benzoic acid |
| Molecular Weight: | 395.48 |
| Molecular Formula: | C21 H21 N3 O3 S |
| Smiles: | C1CCCc2c(CC1)cc1c(c(C(Nc3ccc(cc3)C(O)=O)=O)sc1n2)N |
| Stereo: | ACHIRAL |
| logP: | 4.9002 |
| logD: | 2.505 |
| logSw: | -4.7026 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 82.597 |
| InChI Key: | OGGWPUNKQZRCQX-UHFFFAOYSA-N |