N-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-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: | SD07-0336 |
| Compound Name: | N-({1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-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: | 436.51 |
| Molecular Formula: | C23 H28 N6 O3 |
| Smiles: | Cc1cccc(c1)C(NCc1c2COC3(CCN(Cc4c(C)noc4C)C3)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6652 |
| logD: | -0.3963 |
| logSw: | -2.2148 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.566 |
| InChI Key: | YSOAKBXXRJHQCH-QHCPKHFHSA-N |