6-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane-2-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane-2-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
6-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane-2-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SC69-0706 |
| Compound Name: | 6-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane-2-sulfonyl]-3-methyl-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 431.51 |
| Molecular Formula: | C20 H25 N5 O4 S |
| Smiles: | CCn1cnnc1C1CN(CC12CCCC2)S(c1ccc2c(c1)OC(N2C)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.2936 |
| logD: | 1.2935 |
| logSw: | -2.4279 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 79.416 |
| InChI Key: | CSCPMESJMCKJHK-HNNXBMFYSA-N |