1-ethyl-N-{[1-(4-phenylbutanoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
1-ethyl-N-{[1-(4-phenylbutanoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-1H-pyrazole-5-carboxamide
1-ethyl-N-{[1-(4-phenylbutanoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | SD07-0980 |
| Compound Name: | 1-ethyl-N-{[1-(4-phenylbutanoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 477.57 |
| Molecular Formula: | C25 H31 N7 O3 |
| Smiles: | CCn1c(ccn1)C(NCc1c2COC3(CCN(C3)C(CCCc3ccccc3)=O)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6441 |
| logD: | 1.6441 |
| logSw: | -2.063 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 88.005 |
| InChI Key: | LYNURSHJVYKNSB-VWLOTQADSA-N |