propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | Y503-0417 |
| Compound Name: | propan-2-yl 2-[(5-bromofuran-2-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 426.33 |
| Molecular Formula: | C18 H20 Br N O4 S |
| Smiles: | CC(C)OC(c1c2CCCCCc2sc1NC(c1ccc(o1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.283 |
| logD: | 0.2595 |
| logSw: | -5.1613 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 52.734 |
| InChI Key: | FVNUPGYGBNQMMD-UHFFFAOYSA-N |