3-{2-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{2-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
3-{2-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SC68-0023 |
| Compound Name: | 3-{2-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decan-2-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 395.46 |
| Molecular Formula: | C21 H25 N5 O3 |
| Smiles: | Cn1cnnc1C1CN(CC12CCCCC2)C(CN1C(=O)Oc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3684 |
| logD: | 1.3683 |
| logSw: | -2.0018 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.525 |
| InChI Key: | PFWQMKUSEUQRDY-HNNXBMFYSA-N |