1-ethyl-3-{[4-(phenylmethanesulfonyl)-1,4-diazepan-1-yl]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
Chemical Structure Depiction of
1-ethyl-3-{[4-(phenylmethanesulfonyl)-1,4-diazepan-1-yl]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
1-ethyl-3-{[4-(phenylmethanesulfonyl)-1,4-diazepan-1-yl]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole
Compound characteristics
| Compound ID: | SC19-0268 |
| Compound Name: | 1-ethyl-3-{[4-(phenylmethanesulfonyl)-1,4-diazepan-1-yl]methyl}-1,4,6,7-tetrahydropyrano[4,3-c]pyrazole |
| Molecular Weight: | 418.56 |
| Molecular Formula: | C21 H30 N4 O3 S |
| Smiles: | CCn1c2CCOCc2c(CN2CCCN(CC2)S(Cc2ccccc2)(=O)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 0.9371 |
| logD: | -1.2448 |
| logSw: | -1.9459 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 58.994 |
| InChI Key: | LIOARGCBUCUCGP-UHFFFAOYSA-N |