rel-(9aR,12aS)-1-acetyl-5-[(3-methoxyphenyl)acetyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Chemical Structure Depiction of
rel-(9aR,12aS)-1-acetyl-5-[(3-methoxyphenyl)acetyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
rel-(9aR,12aS)-1-acetyl-5-[(3-methoxyphenyl)acetyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one
Compound characteristics
| Compound ID: | SB82-0046 |
| Compound Name: | rel-(9aR,12aS)-1-acetyl-5-[(3-methoxyphenyl)acetyl]dodecahydrocyclopenta[f][1,4,8]triazacycloundecin-9(2H)-one |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C22 H31 N3 O4 |
| Smiles: | CC(N1CCCN(CCNC([C@@H]2CCC[C@H]12)=O)C(Cc1cccc(c1)OC)=O)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 0.7657 |
| logD: | 0.7657 |
| logSw: | -2.0624 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.086 |
| InChI Key: | ONLIJPIDUNFATG-UXHICEINSA-N |