N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-2-chloro-N-cyclopropyl-4-nitrobenzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-2-chloro-N-cyclopropyl-4-nitrobenzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-2-chloro-N-cyclopropyl-4-nitrobenzamide
Compound characteristics
| Compound ID: | V015-5571 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(thiophen-2-yl)methyl]amino}-2-oxoethyl)-2-chloro-N-cyclopropyl-4-nitrobenzamide |
| Molecular Weight: | 527.98 |
| Molecular Formula: | C25 H22 Cl N3 O6 S |
| Smiles: | C1CC1N(CC(N(Cc1ccc2c(c1)OCO2)Cc1cccs1)=O)C(c1ccc(cc1[Cl])[N+]([O-])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4409 |
| logD: | 4.4409 |
| logSw: | -4.7991 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 82.953 |
| InChI Key: | LCJOMHXQRKEHKF-UHFFFAOYSA-N |