N'-{[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-diethylurea
Chemical Structure Depiction of
N'-{[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-diethylurea
N'-{[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-diethylurea
Compound characteristics
| Compound ID: | SD07-0635 |
| Compound Name: | N'-{[1-(1,5-dimethyl-1H-pyrazole-3-carbonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}-N,N-diethylurea |
| Molecular Weight: | 430.51 |
| Molecular Formula: | C20 H30 N8 O3 |
| Smiles: | CCN(CC)C(NCc1c2COC3(CCN(C3)C(c3cc(C)n(C)n3)=O)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.3615 |
| logD: | -0.3615 |
| logSw: | -1.3221 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.592 |
| InChI Key: | JNPJOUGDYOHWSW-FQEVSTJZSA-N |