4-oxo-N-[(pyridin-4-yl)methyl]-1-(thiophene-2-sulfonyl)-1,5-diazacycloundecane-8-carboxamide
Chemical Structure Depiction of
4-oxo-N-[(pyridin-4-yl)methyl]-1-(thiophene-2-sulfonyl)-1,5-diazacycloundecane-8-carboxamide
4-oxo-N-[(pyridin-4-yl)methyl]-1-(thiophene-2-sulfonyl)-1,5-diazacycloundecane-8-carboxamide
Compound characteristics
| Compound ID: | S733-1251 |
| Compound Name: | 4-oxo-N-[(pyridin-4-yl)methyl]-1-(thiophene-2-sulfonyl)-1,5-diazacycloundecane-8-carboxamide |
| Molecular Weight: | 450.58 |
| Molecular Formula: | C20 H26 N4 O4 S2 |
| Smiles: | C1CC(CCNC(CCN(C1)S(c1cccs1)(=O)=O)=O)C(NCc1ccncc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.4059 |
| logD: | -0.4093 |
| logSw: | -1.6515 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 92.164 |
| InChI Key: | WKHXKNLYEBZXON-KRWDZBQOSA-N |