3-{5-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
Chemical Structure Depiction of
3-{5-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
3-{5-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one
Compound characteristics
| Compound ID: | L701-0023 |
| Compound Name: | 3-{5-[5-(2,4-dimethyl-1,3-thiazol-5-yl)-1,2,4-oxadiazol-3-yl]-1H-benzotriazol-1-yl}-1-(pyrrolidin-1-yl)propan-1-one |
| Molecular Weight: | 423.5 |
| Molecular Formula: | C20 H21 N7 O2 S |
| Smiles: | Cc1c(c2nc(c3ccc4c(c3)nnn4CCC(N3CCCC3)=O)no2)sc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.9111 |
| logD: | 2.9111 |
| logSw: | -3.2374 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 84.196 |
| InChI Key: | OXGCPVILHBKJRR-UHFFFAOYSA-N |