ethyl {4-[(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
ethyl {4-[(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
ethyl {4-[(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | F405-0283 |
| Compound Name: | ethyl {4-[(2-{[(4-fluorophenyl)methyl]amino}-2-oxoethyl)sulfanyl]-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 427.5 |
| Molecular Formula: | C22 H22 F N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(NCc1ccc(cc1)F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4879 |
| logD: | 3.4879 |
| logSw: | -3.8102 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.806 |
| InChI Key: | HELGZVGTQJYGCO-UHFFFAOYSA-N |