1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1264 |
| Compound Name: | 1-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-4-oxo-N-[(pyridin-4-yl)methyl]-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 463.55 |
| Molecular Formula: | C21 H29 N5 O5 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCCC(CCNC(CC1)=O)C(NCc1ccncc1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -1.3034 |
| logD: | -1.3067 |
| logSw: | -1.7089 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 113.184 |
| InChI Key: | IVXSGBBEZLGFOY-SFHVURJKSA-N |