3-(2,4-dimethylbenzene-1-sulfonyl)-9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol
Chemical Structure Depiction of
3-(2,4-dimethylbenzene-1-sulfonyl)-9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol
3-(2,4-dimethylbenzene-1-sulfonyl)-9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol
Compound characteristics
| Compound ID: | CM3891-1496 |
| Compound Name: | 3-(2,4-dimethylbenzene-1-sulfonyl)-9-[(pyrrolidin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol |
| Molecular Weight: | 420.61 |
| Molecular Formula: | C23 H36 N2 O3 S |
| Smiles: | Cc1ccc(c(C)c1)S(N1CCC2(CCC(CC2)(CN2CCCC2)O)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4182 |
| logD: | 1.5796 |
| logSw: | -3.4044 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 51.542 |
| InChI Key: | FSCAREWSWYXZEP-UHFFFAOYSA-N |