rel-(9aR,11R,12aS)-N-[2-(1H-indol-3-yl)ethyl]-1-(1-methyl-1H-pyrazole-5-carbonyl)-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxamide
Chemical Structure Depiction of
rel-(9aR,11R,12aS)-N-[2-(1H-indol-3-yl)ethyl]-1-(1-methyl-1H-pyrazole-5-carbonyl)-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxamide
rel-(9aR,11R,12aS)-N-[2-(1H-indol-3-yl)ethyl]-1-(1-methyl-1H-pyrazole-5-carbonyl)-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxamide
Compound characteristics
| Compound ID: | S731-1671 |
| Compound Name: | rel-(9aR,11R,12aS)-N-[2-(1H-indol-3-yl)ethyl]-1-(1-methyl-1H-pyrazole-5-carbonyl)-9-oxotetradecahydrocyclopenta[b][1,5]diazacycloundecine-11-carboxamide |
| Molecular Weight: | 504.63 |
| Molecular Formula: | C28 H36 N6 O3 |
| Smiles: | Cn1c(ccn1)C(N1CCCCCCNC([C@@H]2C[C@H](C[C@H]12)C(NCCc1c[nH]c2ccccc12)=O)=O)=O |
| Stereo: | RELATIVE |
| logP: | 1.7535 |
| logD: | 1.7535 |
| logSw: | -2.4732 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 89.65 |
| InChI Key: | WYNGQKGJKWCYQZ-HOKHCIIBSA-N |