9-[(pyrrolidin-1-yl)methyl]-3-(2,4,5-trimethylbenzene-1-sulfonyl)-3-azaspiro[5.5]undecan-9-ol
Chemical Structure Depiction of
9-[(pyrrolidin-1-yl)methyl]-3-(2,4,5-trimethylbenzene-1-sulfonyl)-3-azaspiro[5.5]undecan-9-ol
9-[(pyrrolidin-1-yl)methyl]-3-(2,4,5-trimethylbenzene-1-sulfonyl)-3-azaspiro[5.5]undecan-9-ol
Compound characteristics
| Compound ID: | CM3891-1186 |
| Compound Name: | 9-[(pyrrolidin-1-yl)methyl]-3-(2,4,5-trimethylbenzene-1-sulfonyl)-3-azaspiro[5.5]undecan-9-ol |
| Molecular Weight: | 434.64 |
| Molecular Formula: | C24 H38 N2 O3 S |
| Smiles: | Cc1cc(C)c(cc1C)S(N1CCC2(CCC(CC2)(CN2CCCC2)O)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9077 |
| logD: | 2.0692 |
| logSw: | -3.7035 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.542 |
| InChI Key: | QCSMZXUFNGMPQY-UHFFFAOYSA-N |