N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2-methoxyethyl)-N~2~-(4-nitrobenzene-1-sulfonyl)-N-[(thiophen-2-yl)methyl]glycinamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2-methoxyethyl)-N~2~-(4-nitrobenzene-1-sulfonyl)-N-[(thiophen-2-yl)methyl]glycinamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2-methoxyethyl)-N~2~-(4-nitrobenzene-1-sulfonyl)-N-[(thiophen-2-yl)methyl]glycinamide
Compound characteristics
| Compound ID: | V002-9627 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-N~2~-(2-methoxyethyl)-N~2~-(4-nitrobenzene-1-sulfonyl)-N-[(thiophen-2-yl)methyl]glycinamide |
| Molecular Weight: | 547.61 |
| Molecular Formula: | C24 H25 N3 O8 S2 |
| Smiles: | COCCN(CC(N(Cc1ccc2c(c1)OCO2)Cc1cccs1)=O)S(c1ccc(cc1)[N+]([O-])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3223 |
| logD: | 3.3223 |
| logSw: | -3.6991 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 107.134 |
| InChI Key: | KBCZHKLGICHLAQ-UHFFFAOYSA-N |