3-benzyl-8-(4-methylbenzene-1-sulfonyl)-1-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-2-one
Chemical Structure Depiction of
3-benzyl-8-(4-methylbenzene-1-sulfonyl)-1-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-2-one
3-benzyl-8-(4-methylbenzene-1-sulfonyl)-1-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-2-one
Compound characteristics
| Compound ID: | V029-2223 |
| Compound Name: | 3-benzyl-8-(4-methylbenzene-1-sulfonyl)-1-(2-methylbutyl)-1,4,8-triazaspiro[4.5]decan-2-one |
| Molecular Weight: | 469.65 |
| Molecular Formula: | C26 H35 N3 O3 S |
| Salt: | not_available |
| Smiles: | CCC(C)CN1C(C(Cc2ccccc2)NC12CCN(CC2)S(c1ccc(C)cc1)(=O)=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.8238 |
| logD: | 4.2137 |
| logSw: | -4.4256 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.382 |
| InChI Key: | JDGLLTLHWVFPEI-UHFFFAOYSA-N |