rel-(9aR,13aS)-12-[(3-methoxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Chemical Structure Depiction of
rel-(9aR,13aS)-12-[(3-methoxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
rel-(9aR,13aS)-12-[(3-methoxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one
Compound characteristics
| Compound ID: | S793-0163 |
| Compound Name: | rel-(9aR,13aS)-12-[(3-methoxyphenyl)methyl]-1-[(pyridin-4-yl)methyl]tetradecahydro-9H-pyrido[3,4-b][1,5]diazacycloundecin-9-one |
| Molecular Weight: | 436.6 |
| Molecular Formula: | C26 H36 N4 O2 |
| Smiles: | COc1cccc(CN2CC[C@H]3C(NCCCCCCN(Cc4ccncc4)[C@@H]3C2)=O)c1 |
| Stereo: | RELATIVE |
| logP: | 2.3291 |
| logD: | -0.3791 |
| logSw: | -2.6484 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 49.204 |
| InChI Key: | YNSOUJCSAHBXET-DQEYMECFSA-N |