N-[3-{[benzyl(3-chlorobenzene-1-sulfonyl)amino]methyl}-4-(dimethylamino)phenyl]-3-methylbutanamide
Chemical Structure Depiction of
N-[3-{[benzyl(3-chlorobenzene-1-sulfonyl)amino]methyl}-4-(dimethylamino)phenyl]-3-methylbutanamide
N-[3-{[benzyl(3-chlorobenzene-1-sulfonyl)amino]methyl}-4-(dimethylamino)phenyl]-3-methylbutanamide
Compound characteristics
| Compound ID: | V014-0325 |
| Compound Name: | N-[3-{[benzyl(3-chlorobenzene-1-sulfonyl)amino]methyl}-4-(dimethylamino)phenyl]-3-methylbutanamide |
| Molecular Weight: | 514.09 |
| Molecular Formula: | C27 H32 Cl N3 O3 S |
| Salt: | not_available |
| Smiles: | CC(C)CC(Nc1ccc(c(CN(Cc2ccccc2)S(c2cccc(c2)[Cl])(=O)=O)c1)N(C)C)=O |
| Stereo: | ACHIRAL |
| logP: | 6.2044 |
| logD: | 6.2026 |
| logSw: | -6.049 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.995 |
| InChI Key: | DOBNCQWANIMWBK-UHFFFAOYSA-N |