8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate
Chemical Structure Depiction of
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate
8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate
Compound characteristics
| Compound ID: | Y041-1410 |
| Compound Name: | 8-chloro-4-oxo-1,2,3,4-tetrahydrobenzo[b]cyclopenta[d]pyran-7-yl 4-({[(benzyloxy)carbonyl]amino}methyl)cyclohexane-1-carboxylate |
| Molecular Weight: | 509.99 |
| Molecular Formula: | C28 H28 Cl N O6 |
| Smiles: | C1CC2=C(C1)c1cc(c(cc1OC2=O)OC([C@H]1CC[C@@H](CC1)CNC(=O)OCc1ccccc1)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 5.916 |
| logD: | 5.916 |
| logSw: | -6.191 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.973 |
| InChI Key: | ZXQAOWQZLAOLRA-UHFFFAOYSA-N |