rel-(9aR,12aS)-1-[(3-methylthiophen-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[(3-methylthiophen-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[(3-methylthiophen-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0163 |
| Compound Name: | rel-(9aR,12aS)-1-[(3-methylthiophen-2-yl)methyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 320.5 |
| Molecular Formula: | C18 H28 N2 O S |
| Smiles: | Cc1ccsc1CN1CCCCCCNC([C@@H]2CCC[C@H]12)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 3.0496 |
| logD: | 2.5166 |
| logSw: | -3.188 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 30.1424 |
| InChI Key: | KYMRVEBZLCYPIE-CVEARBPZSA-N |