N-{[1-(4-methoxy-2-methylbenzoyl)-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-(4-methoxy-2-methylbenzoyl)-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-(4-methoxy-2-methylbenzoyl)-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: | SD07-0349 |
| Compound Name: | N-{[1-(4-methoxy-2-methylbenzoyl)-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: | 475.55 |
| Molecular Formula: | C26 H29 N5 O4 |
| Smiles: | Cc1cccc(c1)C(NCc1c2COC3(CCN(C3)C(c3ccc(cc3C)OC)=O)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.5486 |
| logD: | 2.5486 |
| logSw: | -2.8505 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 82.987 |
| InChI Key: | JZRMEVCPBMBCPR-SANMLTNESA-N |