N-{[1-(cyclopropanesulfonyl)-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-(cyclopropanesulfonyl)-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-(cyclopropanesulfonyl)-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: | SD07-0315 |
| Compound Name: | N-{[1-(cyclopropanesulfonyl)-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: | 431.51 |
| Molecular Formula: | C20 H25 N5 O4 S |
| Smiles: | Cc1cccc(c1)C(NCc1c2COC3(CCN(C3)S(C3CC3)(=O)=O)Cn2nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1534 |
| logD: | 1.1534 |
| logSw: | -2.3762 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.029 |
| InChI Key: | JJGQRXSDRYPVRX-FQEVSTJZSA-N |