N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-fluoro-N-(3-methoxypropyl)benzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-fluoro-N-(3-methoxypropyl)benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-fluoro-N-(3-methoxypropyl)benzamide
Compound characteristics
| Compound ID: | V009-1119 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-fluoro-N-(3-methoxypropyl)benzamide |
| Molecular Weight: | 512.6 |
| Molecular Formula: | C27 H29 F N2 O5 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CCCOC)C(c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0546 |
| logD: | 4.0546 |
| logSw: | -4.0903 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 58.588 |
| InChI Key: | YBHJNJJCQZOVJM-UHFFFAOYSA-N |