rel-(9aR,12aS)-1-(methanesulfonyl)-5-(3-phenylpropyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-(methanesulfonyl)-5-(3-phenylpropyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-(methanesulfonyl)-5-(3-phenylpropyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0934 |
| Compound Name: | rel-(9aR,12aS)-1-(methanesulfonyl)-5-(3-phenylpropyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 407.57 |
| Molecular Formula: | C21 H33 N3 O3 S |
| Smiles: | CS(N1CCCN(CCCc2ccccc2)CCNC([C@@H]2CCC[C@H]12)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.9428 |
| logD: | 1.3251 |
| logSw: | -2.6779 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.996 |
| InChI Key: | IBZHIHHACHLSAI-UXHICEINSA-N |