3-{2-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{2-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
3-{2-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SC69-0648 |
| Compound Name: | 3-{2-[4-(4-ethyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.4]nonan-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | CCn1cnnc1C1CN(CC12CCCC2)C(CN1C(=O)Oc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1804 |
| logD: | 1.18 |
| logSw: | -2.0699 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.06 |
| InChI Key: | XCAXUVXCGUNYCV-HNNXBMFYSA-N |