N-benzyl-1-(isoquinoline-1-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
N-benzyl-1-(isoquinoline-1-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
N-benzyl-1-(isoquinoline-1-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-0745 |
| Compound Name: | N-benzyl-1-(isoquinoline-1-carbonyl)-4-oxo-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 458.56 |
| Molecular Formula: | C27 H30 N4 O3 |
| Smiles: | C1CC(CCNC(CCN(C1)C(c1c2ccccc2ccn1)=O)=O)C(NCc1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2856 |
| logD: | 1.2856 |
| logSw: | -2.1237 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 76.201 |
| InChI Key: | PSMDIPRSLHCMPA-QFIPXVFZSA-N |