rel-(1R,5S)-3-ethyl-7-[4-(propan-2-yl)benzene-1-sulfonyl]-3,7,9-triazabicyclo[3.3.2]decan-10-one
Chemical Structure Depiction of
rel-(1R,5S)-3-ethyl-7-[4-(propan-2-yl)benzene-1-sulfonyl]-3,7,9-triazabicyclo[3.3.2]decan-10-one
rel-(1R,5S)-3-ethyl-7-[4-(propan-2-yl)benzene-1-sulfonyl]-3,7,9-triazabicyclo[3.3.2]decan-10-one
Compound characteristics
| Compound ID: | SD24-0128 |
| Compound Name: | rel-(1R,5S)-3-ethyl-7-[4-(propan-2-yl)benzene-1-sulfonyl]-3,7,9-triazabicyclo[3.3.2]decan-10-one |
| Molecular Weight: | 365.49 |
| Molecular Formula: | C18 H27 N3 O3 S |
| Smiles: | [H][C@]12CN(CC)C[C@]([H])(CN(C1)S(c1ccc(cc1)C(C)C)(=O)=O)C(N2)=O |
| Stereo: | RACEMIC MIXTURE (RELATIVE) |
| logP: | 2.0108 |
| logD: | 0.7471 |
| logSw: | -2.6214 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.211 |
| InChI Key: | NVKMSRDCVKRIIO-CVEARBPZSA-N |