N-{[1-(2,5-difluorobenzoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-methylbenzamide
Chemical Structure Depiction of
N-{[1-(2,5-difluorobenzoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-methylbenzamide
N-{[1-(2,5-difluorobenzoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-methylbenzamide
Compound characteristics
| Compound ID: | SD07-0352 |
| Compound Name: | N-{[1-(2,5-difluorobenzoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-3-methylbenzamide |
| Molecular Weight: | 467.47 |
| Molecular Formula: | C24 H23 F2 N5 O3 |
| Smiles: | Cc1cccc(c1)C(NCc1c2COC3(CCN(C3)C(c3cc(ccc3F)F)=O)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.4519 |
| logD: | 2.4519 |
| logSw: | -2.9666 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 75.443 |
| InChI Key: | UFGQXTRQVRYKHO-DEOSSOPVSA-N |