3-{3-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
3-{3-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
3-{3-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SC66-0004 |
| Compound Name: | 3-{3-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]-3-oxopropyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 411.46 |
| Molecular Formula: | C21 H25 N5 O4 |
| Smiles: | Cn1cnnc1C1CN(CC12CCOCC2)C(CCN1C(=O)Oc2ccccc12)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.4719 |
| logD: | 0.4719 |
| logSw: | -1.5833 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 72.412 |
| InChI Key: | OQKDHHLCDNLQHM-HNNXBMFYSA-N |