methyl (4-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0062 |
| Compound Name: | methyl (4-{[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 478.34 |
| Molecular Formula: | C20 H17 Br F N3 O3 S |
| Smiles: | COC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1ccc(cc1F)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.0054 |
| logD: | 3.9996 |
| logSw: | -4.2174 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.206 |
| InChI Key: | MBKYROCYYTUYIM-UHFFFAOYSA-N |