N-benzyl-N~2~-(4-chloro-3-nitrobenzene-1-sulfonyl)-N~2~-(3-methoxypropyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-benzyl-N~2~-(4-chloro-3-nitrobenzene-1-sulfonyl)-N~2~-(3-methoxypropyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
N-benzyl-N~2~-(4-chloro-3-nitrobenzene-1-sulfonyl)-N~2~-(3-methoxypropyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V001-1266 |
| Compound Name: | N-benzyl-N~2~-(4-chloro-3-nitrobenzene-1-sulfonyl)-N~2~-(3-methoxypropyl)-N-[(3-methylthiophen-2-yl)methyl]glycinamide |
| Molecular Weight: | 566.09 |
| Molecular Formula: | C25 H28 Cl N3 O6 S2 |
| Smiles: | Cc1ccsc1CN(Cc1ccccc1)C(CN(CCCOC)S(c1ccc(c(c1)[N+]([O-])=O)[Cl])(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.673 |
| logD: | 4.673 |
| logSw: | -4.8821 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 89.717 |
| InChI Key: | HUWUHRUJXVPSSJ-UHFFFAOYSA-N |