2-{3-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane-2-carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione
Chemical Structure Depiction of
2-{3-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane-2-carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione
2-{3-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane-2-carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione
Compound characteristics
| Compound ID: | SC68-0007 |
| Compound Name: | 2-{3-[4-(4-methyl-4H-1,2,4-triazol-3-yl)-2-azaspiro[4.5]decane-2-carbonyl]phenyl}-1lambda~6~,2-thiazinane-1,1-dione |
| Molecular Weight: | 457.59 |
| Molecular Formula: | C23 H31 N5 O3 S |
| Smiles: | Cn1cnnc1C1CN(CC12CCCCC2)C(c1cccc(c1)N1CCCCS1(=O)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.152 |
| logD: | 1.1519 |
| logSw: | -2.3344 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 73.622 |
| InChI Key: | YCNJYVZULJLBPF-FQEVSTJZSA-N |