N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-fluoro-N-[2-(morpholin-4-yl)ethyl]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-[2-(morpholin-4-yl)ethyl]benzamide
N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-fluoro-N-[2-(morpholin-4-yl)ethyl]benzamide
Compound characteristics
| Compound ID: | V004-4224 |
| Compound Name: | N-(2-{[(2H-1,3-benzodioxol-5-yl)methyl][(3-methylthiophen-2-yl)methyl]amino}-2-oxoethyl)-2-fluoro-N-[2-(morpholin-4-yl)ethyl]benzamide |
| Molecular Weight: | 553.65 |
| Molecular Formula: | C29 H32 F N3 O5 S |
| Salt: | not_available |
| Smiles: | Cc1ccsc1CN(Cc1ccc2c(c1)OCO2)C(CN(CCN1CCOCC1)C(c1ccccc1F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.3654 |
| logD: | 3.3608 |
| logSw: | -3.5956 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 61.865 |
| InChI Key: | ALYFRIJJYRQJLD-UHFFFAOYSA-N |