5-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2-carboxamide
Chemical Structure Depiction of
5-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2-carboxamide
5-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | Y205-4271 |
| Compound Name: | 5-bromo-N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)thiophene-2-carboxamide |
| Molecular Weight: | 381.31 |
| Molecular Formula: | C15 H13 Br N2 O S2 |
| Smiles: | C1CCc2c(C#N)c(NC(c3ccc(s3)[Br])=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 5.0245 |
| logD: | 1.4798 |
| logSw: | -4.7697 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.45 |
| InChI Key: | NXNJCDYFISOFLK-UHFFFAOYSA-N |