3-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-9-[(4-methylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol
Chemical Structure Depiction of
3-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-9-[(4-methylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol
3-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-9-[(4-methylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol
Compound characteristics
| Compound ID: | S567-0426 |
| Compound Name: | 3-(3,5-dimethyl-1,2-oxazole-4-sulfonyl)-9-[(4-methylpiperazin-1-yl)methyl]-3-azaspiro[5.5]undecan-9-ol |
| Molecular Weight: | 440.6 |
| Molecular Formula: | C21 H36 N4 O4 S |
| Smiles: | Cc1c(c(C)on1)S(N1CCC2(CCC(CC2)(CN2CCN(C)CC2)O)CC1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.4709 |
| logD: | -0.5968 |
| logSw: | -1.0931 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.69 |
| InChI Key: | BMCRJJAHLLCVLV-UHFFFAOYSA-N |