4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane
Chemical Structure Depiction of
4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane
4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane
Compound characteristics
| Compound ID: | SC66-0042 |
| Compound Name: | 4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-[(3,4,5-trimethoxyphenyl)methyl]-8-oxa-2-azaspiro[4.5]decane |
| Molecular Weight: | 402.49 |
| Molecular Formula: | C21 H30 N4 O4 |
| Smiles: | Cn1cnnc1C1CN(Cc2cc(c(c(c2)OC)OC)OC)CC12CCOCC2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9698 |
| logD: | -3.628 |
| logSw: | -1.6379 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 59.923 |
| InChI Key: | OCPSJZNMAHFBOY-MRXNPFEDSA-N |