N-{[1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-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-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-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-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-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: | SD07-0332 |
| Compound Name: | N-{[1-(1-ethyl-5-methyl-1H-pyrazole-4-carbonyl)-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: | 463.54 |
| Molecular Formula: | C24 H29 N7 O3 |
| Smiles: | CCn1c(C)c(cn1)C(N1CCC2(C1)Cn1c(CO2)c(CNC(c2cccc(C)c2)=O)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1632 |
| logD: | 1.1632 |
| logSw: | -2.2857 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.368 |
| InChI Key: | ARHKPLQIEVEEFO-DEOSSOPVSA-N |