N'-({1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-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-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-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-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-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: | SD07-0624 |
| Compound Name: | N'-({1-[(1,3-dimethyl-1H-pyrazol-4-yl)methyl]-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: | 416.53 |
| Molecular Formula: | C20 H32 N8 O2 |
| Smiles: | CCN(CC)C(NCc1c2COC3(CCN(Cc4cn(C)nc4C)C3)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | -0.2046 |
| logD: | -4.403 |
| logSw: | -1.0976 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.351 |
| InChI Key: | FXMBWIVMKLNUGN-FQEVSTJZSA-N |