N-[4-(azepane-1-sulfonyl)phenyl]-3-(1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
Chemical Structure Depiction of
N-[4-(azepane-1-sulfonyl)phenyl]-3-(1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
N-[4-(azepane-1-sulfonyl)phenyl]-3-(1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamide
Compound characteristics
| Compound ID: | C561-2196 |
| Compound Name: | N-[4-(azepane-1-sulfonyl)phenyl]-3-(1-tert-butyl-3,4,6-trimethyl-1H-pyrazolo[3,4-b]pyridin-5-yl)propanamide |
| Molecular Weight: | 525.71 |
| Molecular Formula: | C28 H39 N5 O3 S |
| Smiles: | Cc1c(CCC(Nc2ccc(cc2)S(N2CCCCCC2)(=O)=O)=O)c(C)nc2c1c(C)nn2C(C)(C)C |
| Stereo: | ACHIRAL |
| logP: | 4.5748 |
| logD: | 4.57 |
| logSw: | -4.4522 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.098 |
| InChI Key: | RUKARYDBYBNASV-UHFFFAOYSA-N |