N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,5-dinitro-N-(propan-2-yl)benzamide
Chemical Structure Depiction of
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,5-dinitro-N-(propan-2-yl)benzamide
N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,5-dinitro-N-(propan-2-yl)benzamide
Compound characteristics
| Compound ID: | V001-1699 |
| Compound Name: | N-(2-{[(4-fluorophenyl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-3,5-dinitro-N-(propan-2-yl)benzamide |
| Molecular Weight: | 528.56 |
| Molecular Formula: | C25 H25 F N4 O6 S |
| Smiles: | CC(C)N(CC(N(Cc1ccc(cc1)F)Cc1c(C)ccs1)=O)C(c1cc(cc(c1)[N+]([O-])=O)[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7003 |
| logD: | 4.7003 |
| logSw: | -4.5343 |
| Hydrogen bond acceptors count: | 12 |
| Polar surface area: | 99.658 |
| InChI Key: | IAMGYZKIOFLLBX-UHFFFAOYSA-N |