diethyl 5-[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Chemical Structure Depiction of
diethyl 5-[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
diethyl 5-[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate
Compound characteristics
| Compound ID: | 8014-2935 |
| Compound Name: | diethyl 5-[(3-amino-5,6,7,8,9,10-hexahydrocycloocta[b]thieno[3,2-e]pyridine-2-carbonyl)amino]-3-methylthiophene-2,4-dicarboxylate |
| Molecular Weight: | 515.65 |
| Molecular Formula: | C25 H29 N3 O5 S2 |
| Smiles: | CCOC(c1c(C)c(C(=O)OCC)sc1NC(c1c(c2cc3CCCCCCc3nc2s1)N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6387 |
| logD: | 3.3 |
| logSw: | -5.4183 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 95.49 |
| InChI Key: | RBXGWCVUUSREMV-UHFFFAOYSA-N |