3-amino-N-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Chemical Structure Depiction of
3-amino-N-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
3-amino-N-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide
Compound characteristics
| Compound ID: | 3772-9229 |
| Compound Name: | 3-amino-N-(4-nitrophenyl)-6,7,8,9-tetrahydro-5H-cyclohepta[b]thieno[3,2-e]pyridine-2-carboxamide |
| Molecular Weight: | 382.44 |
| Molecular Formula: | C19 H18 N4 O3 S |
| Smiles: | C1CCc2cc3c(c(C(Nc4ccc(cc4)[N+]([O-])=O)=O)sc3nc2CC1)N |
| Stereo: | ACHIRAL |
| logP: | 4.4817 |
| logD: | 4.4763 |
| logSw: | -4.4695 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 87.57 |
| InChI Key: | KBKADNMDGVPMHG-UHFFFAOYSA-N |