rel-(9aR,12aS)-1-acetyl-5-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-acetyl-5-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-acetyl-5-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0075 |
| Compound Name: | rel-(9aR,12aS)-1-acetyl-5-(5,6,7,8-tetrahydronaphthalene-2-sulfonyl)dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 447.6 |
| Molecular Formula: | C23 H33 N3 O4 S |
| Smiles: | CC(N1CCCN(CCNC([C@@H]2CCC[C@H]12)=O)S(c1ccc2CCCCc2c1)(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0566 |
| logD: | 2.0566 |
| logSw: | -2.9953 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.053 |
| InChI Key: | FFUAJRITKQZYMY-FCHUYYIVSA-N |