3-methyl-N-{[1-(thiophene-3-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-(thiophene-3-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-(thiophene-3-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: | SD07-0384 |
| Compound Name: | 3-methyl-N-{[1-(thiophene-3-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: | 437.52 |
| Molecular Formula: | C22 H23 N5 O3 S |
| Smiles: | Cc1cccc(c1)C(NCc1c2COC3(CCN(C3)C(c3ccsc3)=O)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7916 |
| logD: | 1.7916 |
| logSw: | -2.5415 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 76.462 |
| InChI Key: | BEGZRUIVKRJUQG-QFIPXVFZSA-N |