N,N-diethyl-N'-({1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)urea
Chemical Structure Depiction of
N,N-diethyl-N'-({1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)urea
N,N-diethyl-N'-({1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)urea
Compound characteristics
| Compound ID: | SD07-0674 |
| Compound Name: | N,N-diethyl-N'-({1-[(1-methyl-1H-pyrrol-2-yl)methyl]-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl}methyl)urea |
| Molecular Weight: | 401.51 |
| Molecular Formula: | C20 H31 N7 O2 |
| Smiles: | CCN(CC)C(NCc1c2COC3(CCN(Cc4cccn4C)C3)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.78 |
| logD: | 0.5314 |
| logSw: | -1.9354 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.087 |
| InChI Key: | JSKZOWMOHZCMPX-FQEVSTJZSA-N |