rel-(9aR,12aS)-1-(1-ethyl-1H-pyrazole-4-sulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(1-ethyl-1H-pyrazole-4-sulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(1-ethyl-1H-pyrazole-4-sulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0548 |
| Compound Name: | rel-(9aR,12aS)-1-(1-ethyl-1H-pyrazole-4-sulfonyl)-8-methyldodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 382.52 |
| Molecular Formula: | C18 H30 N4 O3 S |
| Smiles: | CCn1cc(cn1)S(N1CCCCCCN(C)C([C@@H]2CCC[C@H]12)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.0586 |
| logD: | 1.0586 |
| logSw: | -2.0705 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 63.548 |
| InChI Key: | ZUWYPPZATXEQPV-SJORKVTESA-N |