methyl 4-{[3-(cyclopentylamino)spiro[1,4-diazabicyclo[3.2.1]oct-3-ene-2,4'-piperidine]-1'-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(cyclopentylamino)spiro[1,4-diazabicyclo[3.2.1]oct-3-ene-2,4'-piperidine]-1'-carbonyl]amino}benzoate
methyl 4-{[3-(cyclopentylamino)spiro[1,4-diazabicyclo[3.2.1]oct-3-ene-2,4'-piperidine]-1'-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | S236-0212 |
| Compound Name: | methyl 4-{[3-(cyclopentylamino)spiro[1,4-diazabicyclo[3.2.1]oct-3-ene-2,4'-piperidine]-1'-carbonyl]amino}benzoate |
| Molecular Weight: | 439.56 |
| Molecular Formula: | C24 H33 N5 O3 |
| Smiles: | COC(c1ccc(cc1)NC(N1CCC2(CC1)C(NC1CCCC1)=NC1CCN2C1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.1722 |
| logD: | 2.3002 |
| logSw: | -3.5754 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.732 |
| InChI Key: | POESITKCSMJXOU-UHFFFAOYSA-N |