3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-phenyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-phenyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-phenyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8009-0499 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-N-phenyl-4-[4-(pyrrolidine-1-sulfonyl)phenyl]-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 600.55 |
| Molecular Formula: | C27 H25 N3 O4 S2 |
| Salt: | HBr |
| Smiles: | C1CCN(C1)S(c1ccc(cc1)C1=CSC(=N/c2ccccc2)\N1Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6087 |
| logD: | 5.6085 |
| logSw: | -6.0238 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 60.496 |
| InChI Key: | RLWWOPQXHBBIKB-DQSJHHFOSA-N |