rel-(9aR,12aS)-5-[(4-chlorophenyl)acetyl]-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-5-[(4-chlorophenyl)acetyl]-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-5-[(4-chlorophenyl)acetyl]-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0978 |
| Compound Name: | rel-(9aR,12aS)-5-[(4-chlorophenyl)acetyl]-1-(methanesulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 441.98 |
| Molecular Formula: | C20 H28 Cl N3 O4 S |
| Smiles: | CS(N1CCCN(CCNC([C@@H]2CCC[C@H]12)=O)C(Cc1ccc(cc1)[Cl])=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2853 |
| logD: | 1.2853 |
| logSw: | -2.7362 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.406 |
| InChI Key: | BOGYAHNTWUWASZ-ZWKOTPCHSA-N |