N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(cyclopropylmethyl)-2-fluorobenzamide
Chemical Structure Depiction of
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(cyclopropylmethyl)-2-fluorobenzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(cyclopropylmethyl)-2-fluorobenzamide
Compound characteristics
| Compound ID: | V027-1027 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-N-(cyclopropylmethyl)-2-fluorobenzamide |
| Molecular Weight: | 494.58 |
| Molecular Formula: | C27 H27 F N2 O4 S |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CC1CC1)C(c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7198 |
| logD: | 4.7198 |
| logSw: | -4.5965 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 50.519 |
| InChI Key: | XSZXJQBMTYIHTM-UHFFFAOYSA-N |