1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1267 |
| Compound Name: | 1-(2,3-dihydro-1,4-benzodioxine-6-sulfonyl)-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 502.59 |
| Molecular Formula: | C24 H30 N4 O6 S |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1ccc2c(c1)OCCO2)(=O)=O)=O)C(NCc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.9685 |
| logD: | -0.9718 |
| logSw: | -1.8093 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.969 |
| InChI Key: | ZVQJPJVPYOVAKY-IBGZPJMESA-N |