rel-(9aR,13aS)-N-[(4-methoxyphenyl)methyl]-9-oxododecahydro-5,1,8-benzoxadiazacycloundecine-1(2H)-carboxamide
Chemical Structure Depiction of
rel-(9aR,13aS)-N-[(4-methoxyphenyl)methyl]-9-oxododecahydro-5,1,8-benzoxadiazacycloundecine-1(2H)-carboxamide
rel-(9aR,13aS)-N-[(4-methoxyphenyl)methyl]-9-oxododecahydro-5,1,8-benzoxadiazacycloundecine-1(2H)-carboxamide
Compound characteristics
| Compound ID: | S797-0270 |
| Compound Name: | rel-(9aR,13aS)-N-[(4-methoxyphenyl)methyl]-9-oxododecahydro-5,1,8-benzoxadiazacycloundecine-1(2H)-carboxamide |
| Molecular Weight: | 389.49 |
| Molecular Formula: | C21 H31 N3 O4 |
| Smiles: | COc1ccc(CNC(N2CCCOCCNC([C@@H]3CCCC[C@H]23)=O)=O)cc1 |
| Stereo: | RELATIVE |
| logP: | 1.6538 |
| logD: | 1.6538 |
| logSw: | -2.2878 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.103 |
| InChI Key: | GUYLVYZBQQQYNB-MOPGFXCFSA-N |