N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,5-dinitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,5-dinitro-N-(propan-2-yl)benzamide
N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,5-dinitro-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V001-1747 |
| Compound Name: | N-(2-{benzyl[(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,5-dinitro-N-(propan-2-yl)benzamide |
| Molecular Weight: | 510.57 |
| Molecular Formula: | C25 H26 N4 O6 S |
| Smiles: | CC(C)N(CC(N(Cc1ccccc1)Cc1c(C)ccs1)=O)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6713 |
| logD: | 4.6713 |
| logSw: | -4.4952 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.658 |
| InChI Key: | BVTFMFKMCFXWEH-UHFFFAOYSA-N |