N-(6-{[(4-fluorophenyl)methyl]carbamamido}-1,3-benzothiazol-2-yl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(6-{[(4-fluorophenyl)methyl]carbamamido}-1,3-benzothiazol-2-yl)-4-methylbenzene-1-sulfonamide
N-(6-{[(4-fluorophenyl)methyl]carbamamido}-1,3-benzothiazol-2-yl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | L366-0337 |
| Compound Name: | N-(6-{[(4-fluorophenyl)methyl]carbamamido}-1,3-benzothiazol-2-yl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 470.54 |
| Molecular Formula: | C22 H19 F N4 O3 S2 |
| Smiles: | [H]c1cc(cc2c1nc(NS(c1ccc(C)cc1)(=O)=O)s2)NC(NCc1ccc(cc1)F)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8567 |
| logD: | 4.4557 |
| logSw: | -4.6367 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 84.274 |
| InChI Key: | UPZYTLWYSDLKAW-UHFFFAOYSA-N |