methyl (4-{[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0059 |
| Compound Name: | methyl (4-{[2-(3-fluoro-4-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 413.47 |
| Molecular Formula: | C21 H20 F N3 O3 S |
| Smiles: | Cc1ccc(cc1F)NC(CSC1C=C(CC(=O)OC)Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9746 |
| logD: | 3.9745 |
| logSw: | -4.0897 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.904 |
| InChI Key: | PLHXWKLRTTUPDP-UHFFFAOYSA-N |