N-{[1-(4-phenylbutanoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propane-2-sulfonamide
Chemical Structure Depiction of
N-{[1-(4-phenylbutanoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propane-2-sulfonamide
N-{[1-(4-phenylbutanoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propane-2-sulfonamide
Compound characteristics
| Compound ID: | SD07-0741 |
| Compound Name: | N-{[1-(4-phenylbutanoyl)-4'H,7'H-spiro[pyrrolidine-3,6'-[1,2,3]triazolo[5,1-c][1,4]oxazin]-3'-yl]methyl}propane-2-sulfonamide |
| Molecular Weight: | 461.58 |
| Molecular Formula: | C22 H31 N5 O4 S |
| Smiles: | CC(C)S(NCc1c2COC3(CCN(C3)C(CCCc3ccccc3)=O)Cn2nn1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0222 |
| logD: | 2.0116 |
| logSw: | -2.5091 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 92.533 |
| InChI Key: | RUZWFQYQZWAHIN-QFIPXVFZSA-N |