N-[(5-bromofuran-2-yl)methyl]-4-butyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-[(5-bromofuran-2-yl)methyl]-4-butyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)cyclohexane-1-carboxamide
N-[(5-bromofuran-2-yl)methyl]-4-butyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | D328-0239 |
| Compound Name: | N-[(5-bromofuran-2-yl)methyl]-4-butyl-N-(1,1-dioxo-1lambda~6~-thiolan-3-yl)cyclohexane-1-carboxamide |
| Molecular Weight: | 460.43 |
| Molecular Formula: | C20 H30 Br N O4 S |
| Smiles: | CCCCC1CCC(CC1)C(N(Cc1ccc(o1)[Br])C1CCS(C1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.4363 |
| logD: | 4.4363 |
| logSw: | -4.2719 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 52.148 |
| InChI Key: | KLMQCGXPQYXLPN-JCYILVPMSA-N |