rel-(9aR,12aS)-1-[(pyridin-3-yl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-[(pyridin-3-yl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-[(pyridin-3-yl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | S732-0048 |
| Compound Name: | rel-(9aR,12aS)-1-[(pyridin-3-yl)acetyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one |
| Molecular Weight: | 329.44 |
| Molecular Formula: | C19 H27 N3 O2 |
| Smiles: | C1CCCN(C(Cc2cccnc2)=O)[C@@H]2CCC[C@@H]2C(NCC1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.1804 |
| logD: | 1.1719 |
| logSw: | -1.5684 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.864 |
| InChI Key: | MOEHSVCSXLOTQB-SJORKVTESA-N |