6-chloro-3-{2-[8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Chemical Structure Depiction of
6-chloro-3-{2-[8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
6-chloro-3-{2-[8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one
Compound characteristics
| Compound ID: | SC70-0653 |
| Compound Name: | 6-chloro-3-{2-[8-(5-methyl-1H-1,2,4-triazol-3-yl)-6-azaspiro[3.4]octan-6-yl]-2-oxoethyl}-1,3-benzoxazol-2(3H)-one |
| Molecular Weight: | 401.85 |
| Molecular Formula: | C19 H20 Cl N5 O3 |
| Smiles: | Cc1nc(C2CN(CC23CCC3)C(CN2C(=O)Oc3cc(ccc23)[Cl])=O)n[nH]1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.2176 |
| logD: | 2.215 |
| logSw: | -3.4518 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.342 |
| InChI Key: | HDLWHRKTBDSOGK-ZDUSSCGKSA-N |