N-{[1-(2,4-dimethylbenzoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propane-1-sulfonamide
Chemical Structure Depiction of
N-{[1-(2,4-dimethylbenzoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propane-1-sulfonamide
N-{[1-(2,4-dimethylbenzoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propane-1-sulfonamide
Compound characteristics
| Compound ID: | SD07-0838 |
| Compound Name: | N-{[1-(2,4-dimethylbenzoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propane-1-sulfonamide |
| Molecular Weight: | 447.56 |
| Molecular Formula: | C21 H29 N5 O4 S |
| Smiles: | CCCS(NCc1c2COC3(CCN(C3)C(c3ccc(C)cc3C)=O)Cn2nn1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.7124 |
| logD: | 1.7044 |
| logSw: | -2.8243 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.687 |
| InChI Key: | VCDCGCCWSNDZCQ-NRFANRHFSA-N |