methyl (4-{[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0029 |
| Compound Name: | methyl (4-{[2-(3,4-difluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 417.43 |
| Molecular Formula: | C20 H17 F2 N3 O3 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1ccc(c(c1)F)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6815 |
| logD: | 3.6758 |
| logSw: | -4.0813 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.904 |
| InChI Key: | KVFOGSCWAQYQIV-UHFFFAOYSA-N |