1-C-(5-butyl-7-methyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]decan-2-yl)pentitol
Chemical Structure Depiction of
1-C-(5-butyl-7-methyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]decan-2-yl)pentitol
1-C-(5-butyl-7-methyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]decan-2-yl)pentitol
Compound characteristics
| Compound ID: | 7780-0051 |
| Compound Name: | 1-C-(5-butyl-7-methyl-6-oxo-1,3-diazatricyclo[3.3.1.1~3,7~]decan-2-yl)pentitol |
| Molecular Weight: | 372.46 |
| Molecular Formula: | C18 H32 N2 O6 |
| Smiles: | CCCCC12CN3CC(C)(CN(C1)C3C(C(C(C(CO)O)O)O)O)C2=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | -0.4932 |
| logD: | -0.4932 |
| logSw: | -0.0941 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 100.511 |
| InChI Key: | PBNNQUQVPPQRPQ-UHFFFAOYSA-N |