N-[4-(dimethylamino)-3-{[(4-fluorobenzene-1-sulfonyl)(propan-2-yl)amino]methyl}phenyl]-3-methylbutanamide
Chemical Structure Depiction of
N-[4-(dimethylamino)-3-{[(4-fluorobenzene-1-sulfonyl)(propan-2-yl)amino]methyl}phenyl]-3-methylbutanamide
N-[4-(dimethylamino)-3-{[(4-fluorobenzene-1-sulfonyl)(propan-2-yl)amino]methyl}phenyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | V013-0944 |
| Compound Name: | N-[4-(dimethylamino)-3-{[(4-fluorobenzene-1-sulfonyl)(propan-2-yl)amino]methyl}phenyl]-3-methylbutanamide |
| Molecular Weight: | 449.59 |
| Molecular Formula: | C23 H32 F N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(CN(C(C)C)S(c2ccc(cc2)F)(=O)=O)c1)N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 4.8825 |
| logD: | 4.8812 |
| logSw: | -4.5716 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 58.049 |
| InChI Key: | QJJSIRPOFXSYAB-UHFFFAOYSA-N |