3-methyl-N-{[1-(1-methyl-1H-pyrrole-2-carbonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}benzamide
Chemical Structure Depiction of
3-methyl-N-{[1-(1-methyl-1H-pyrrole-2-carbonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}benzamide
3-methyl-N-{[1-(1-methyl-1H-pyrrole-2-carbonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}benzamide
Compound characteristics
| Compound ID: | SD07-0317 |
| Compound Name: | 3-methyl-N-{[1-(1-methyl-1H-pyrrole-2-carbonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}benzamide |
| Molecular Weight: | 434.5 |
| Molecular Formula: | C23 H26 N6 O3 |
| Smiles: | Cc1cccc(c1)C(NCc1c2COC3(CCN(C3)C(c3cccn3C)=O)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0352 |
| logD: | 2.0352 |
| logSw: | -2.6054 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.86 |
| InChI Key: | NADKFUVGENJZPQ-QHCPKHFHSA-N |