N-({1-[(3-chlorophenyl)acetyl]-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-[(3-chlorophenyl)acetyl]-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-[(3-chlorophenyl)acetyl]-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: | SD07-0795 |
| Compound Name: | N-({1-[(3-chlorophenyl)acetyl]-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: | 467.97 |
| Molecular Formula: | C20 H26 Cl N5 O4 S |
| Smiles: | CCCS(NCc1c2COC3(CCN(C3)C(Cc3cccc(c3)[Cl])=O)Cn2nn1)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6994 |
| logD: | 1.6915 |
| logSw: | -2.8985 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 94.16 |
| InChI Key: | LEHPMBJEOKXZSX-FQEVSTJZSA-N |