N-{[1-(1-ethyl-1H-pyrazole-5-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-1H-pyrazole-5-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-1H-pyrazole-5-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: | SD07-0334 |
| Compound Name: | N-{[1-(1-ethyl-1H-pyrazole-5-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: | 449.51 |
| Molecular Formula: | C23 H27 N7 O3 |
| Smiles: | CCn1c(ccn1)C(N1CCC2(C1)Cn1c(CO2)c(CNC(c2cccc(C)c2)=O)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.9158 |
| logD: | 0.9158 |
| logSw: | -2.0615 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.532 |
| InChI Key: | LODDCDTXZFYABZ-QHCPKHFHSA-N |