4-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one
Chemical Structure Depiction of
4-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one
4-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one
Compound characteristics
| Compound ID: | SC66-0183 |
| Compound Name: | 4-(1,3-benzothiazol-2-yl)-1-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-8-oxa-2-azaspiro[4.5]decan-2-yl]butan-1-one |
| Molecular Weight: | 425.55 |
| Molecular Formula: | C22 H27 N5 O2 S |
| Smiles: | Cn1cnnc1C1CN(CC12CCOCC2)C(CCCc1nc2ccccc2s1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.006 |
| logD: | 2.006 |
| logSw: | -2.317 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 59.549 |
| InChI Key: | AVSSTCHDEFYIQA-INIZCTEOSA-N |