3-methyl-6-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane-2-sulfonyl]-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-methyl-6-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane-2-sulfonyl]-1,3-benzoxazol-2(3H)-one
3-methyl-6-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane-2-sulfonyl]-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SC69-0168 |
| Compound Name: | 3-methyl-6-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonane-2-sulfonyl]-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 417.49 |
| Molecular Formula: | C19 H23 N5 O4 S |
| Smiles: | CN1C(=O)Oc2cc(ccc12)S(N1CC(c2nncn2C)C2(CCCC2)C1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9799 |
| logD: | 0.9799 |
| logSw: | -2.3909 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 80.247 |
| InChI Key: | UDIZTBBFGDTLNC-AWEZNQCLSA-N |