N-{[1-(ethanesulfonyl)-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-(ethanesulfonyl)-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-(ethanesulfonyl)-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: | SD07-0355 |
| Compound Name: | N-{[1-(ethanesulfonyl)-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: | 419.5 |
| Molecular Formula: | C19 H25 N5 O4 S |
| Smiles: | CCS(N1CCC2(C1)Cn1c(CO2)c(CNC(c2cccc(C)c2)=O)nn1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 0.8817 |
| logD: | 0.8817 |
| logSw: | -2.369 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 90.672 |
| InChI Key: | WACUAQQMJBCYLK-IBGZPJMESA-N |