3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(morpholine-4-sulfonyl)phenyl]-N-phenyl-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Chemical Structure Depiction of
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(morpholine-4-sulfonyl)phenyl]-N-phenyl-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(morpholine-4-sulfonyl)phenyl]-N-phenyl-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1)
Compound characteristics
| Compound ID: | 8008-9962 |
| Compound Name: | 3-[(2H-1,3-benzodioxol-5-yl)methyl]-4-[4-(morpholine-4-sulfonyl)phenyl]-N-phenyl-1,3-thiazol-2(3H)-imine--hydrogen bromide (1/1) |
| Molecular Weight: | 616.55 |
| Molecular Formula: | C27 H25 N3 O5 S2 |
| Salt: | HBr |
| Smiles: | C1COCCN1S(c1ccc(cc1)C1=CSC(=N/c2ccccc2)\N1Cc1ccc2c(c1)OCO2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9498 |
| logD: | 4.9496 |
| logSw: | -4.9766 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 68.038 |
| InChI Key: | CXPBSZSRAVEZJF-DQSJHHFOSA-N |