N-[rel-(1R,2R)-2-(4-fluorobenzamido)cyclohexyl]-1-(naphthalene-2-sulfonyl)piperidine-3-carboxamide
Chemical Structure Depiction of
N-[rel-(1R,2R)-2-(4-fluorobenzamido)cyclohexyl]-1-(naphthalene-2-sulfonyl)piperidine-3-carboxamide
N-[rel-(1R,2R)-2-(4-fluorobenzamido)cyclohexyl]-1-(naphthalene-2-sulfonyl)piperidine-3-carboxamide
Compound characteristics
| Compound ID: | V004-3606 |
| Compound Name: | N-[rel-(1R,2R)-2-(4-fluorobenzamido)cyclohexyl]-1-(naphthalene-2-sulfonyl)piperidine-3-carboxamide |
| Molecular Weight: | 537.65 |
| Molecular Formula: | C29 H32 F N3 O4 S |
| Smiles: | C1CC[C@H]([C@@H](C1)NC(C1CCCN(C1)S(c1ccc2ccccc2c1)(=O)=O)=O)NC(c1ccc(cc1)F)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.1487 |
| logD: | 4.1487 |
| logSw: | -4.2024 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.477 |
| InChI Key: | KXYGSQPLJMFTOC-ZROWWJAZSA-N |