4-(2-oxo-2-{2-[2-(4-phenyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Chemical Structure Depiction of
4-(2-oxo-2-{2-[2-(4-phenyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
4-(2-oxo-2-{2-[2-(4-phenyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one
Compound characteristics
| Compound ID: | SD73-0476 |
| Compound Name: | 4-(2-oxo-2-{2-[2-(4-phenyl-4H-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl}ethyl)-2H-1,4-benzoxazin-3(4H)-one |
| Molecular Weight: | 431.49 |
| Molecular Formula: | C24 H25 N5 O3 |
| Smiles: | C1CC(CCc2nncn2c2ccccc2)N(C1)C(CN1C(COc2ccccc12)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6906 |
| logD: | 1.6906 |
| logSw: | -2.0906 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 65.993 |
| InChI Key: | NNFBGNPZZQVEFJ-LJQANCHMSA-N |