N-{[1-(phenylmethanesulfonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}oxane-4-carboxamide
Chemical Structure Depiction of
N-{[1-(phenylmethanesulfonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}oxane-4-carboxamide
N-{[1-(phenylmethanesulfonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}oxane-4-carboxamide
Compound characteristics
| Compound ID: | SD07-0428 |
| Compound Name: | N-{[1-(phenylmethanesulfonyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}oxane-4-carboxamide |
| Molecular Weight: | 475.57 |
| Molecular Formula: | C22 H29 N5 O5 S |
| Smiles: | C1COCCC1C(NCc1c2COC3(CCN(C3)S(Cc3ccccc3)(=O)=O)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.2556 |
| logD: | 0.2556 |
| logSw: | -2.2689 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.501 |
| InChI Key: | YKBZMQUHVJECBH-QFIPXVFZSA-N |