rel-(9aR,11R,12aS)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1)
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1)
rel-(9aR,11R,12aS)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1)
Compound characteristics
| Compound ID: | S731-1353 |
| Compound Name: | rel-(9aR,11R,12aS)-11-[4-(pyridin-2-yl)piperazine-1-carbonyl]dodecahydrocyclopenta[b][1,5]diazacycloundecin-9(2H)-one--hydrogen chloride (1/1) |
| Molecular Weight: | 436 |
| Molecular Formula: | C22 H33 N5 O2 |
| Salt: | HCl |
| Smiles: | C1CCCN[C@H]2C[C@@H](C[C@H]2C(NCC1)=O)C(N1CCN(CC1)c1ccccn1)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 1.2159 |
| logD: | -2.1186 |
| logSw: | -2.0083 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.717 |
| InChI Key: | XZNYKYKYLXGRIL-QRVBRYPASA-N |