3-(1-tert-butyl-1H-tetrazol-5-yl)-2-{[4-(methylsulfanyl)phenyl]methyl}-8-oxa-2-azaspiro[4.5]decan-1-one
Chemical Structure Depiction of
3-(1-tert-butyl-1H-tetrazol-5-yl)-2-{[4-(methylsulfanyl)phenyl]methyl}-8-oxa-2-azaspiro[4.5]decan-1-one
3-(1-tert-butyl-1H-tetrazol-5-yl)-2-{[4-(methylsulfanyl)phenyl]methyl}-8-oxa-2-azaspiro[4.5]decan-1-one
Compound characteristics
| Compound ID: | S525-0672 |
| Compound Name: | 3-(1-tert-butyl-1H-tetrazol-5-yl)-2-{[4-(methylsulfanyl)phenyl]methyl}-8-oxa-2-azaspiro[4.5]decan-1-one |
| Molecular Weight: | 415.56 |
| Molecular Formula: | C21 H29 N5 O2 S |
| Smiles: | CC(C)(C)n1c(C2CC3(CCOCC3)C(N2Cc2ccc(cc2)SC)=O)nnn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.976 |
| logD: | 2.976 |
| logSw: | -3.059 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 64.601 |
| InChI Key: | VMXVVDZAJJOECO-KRWDZBQOSA-N |