3-methyl-6-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonane-2-sulfonyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonane-2-sulfonyl}-1,3-benzoxazol-2(3H)-one
3-methyl-6-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonane-2-sulfonyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SC46-0589 |
| Compound Name: | 3-methyl-6-{4-[3-(propan-2-yl)-1H-1,2,4-triazol-5-yl]-2-azaspiro[4.4]nonane-2-sulfonyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C21 H27 N5 O4 S |
| Smiles: | CC(C)c1nc(C2CN(CC23CCCC3)S(c2ccc3c(c2)OC(N3C)=O)(=O)=O)[nH]n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.624 |
| logD: | 2.6228 |
| logSw: | -3.2892 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.119 |
| InChI Key: | WWGFXIPSOJAEDU-HNNXBMFYSA-N |