N-({1-[(3-methylphenoxy)acetyl]-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-[(3-methylphenoxy)acetyl]-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-[(3-methylphenoxy)acetyl]-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: | SD07-0700 |
| Compound Name: | N-({1-[(3-methylphenoxy)acetyl]-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: | 463.55 |
| Molecular Formula: | C21 H29 N5 O5 S |
| Smiles: | CC(C)S(NCc1c2COC3(CCN(C3)C(COc3cccc(C)c3)=O)Cn2nn1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.1256 |
| logD: | 1.115 |
| logSw: | -2.4181 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 100.032 |
| InChI Key: | PHKRHFKWJSGGDW-NRFANRHFSA-N |