ethyl (4-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
ethyl (4-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
ethyl (4-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0281 |
| Compound Name: | ethyl (4-{[2-(3-chloro-4-fluoroanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 447.91 |
| Molecular Formula: | C21 H19 Cl F N3 O3 S |
| Smiles: | CCOC(CC1=CC(=Nc2ccccc2N1)SCC(Nc1ccc(c(c1)[Cl])F)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5076 |
| logD: | 4.5019 |
| logSw: | -4.4685 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.484 |
| InChI Key: | UFQKLEJKFHOLJZ-UHFFFAOYSA-N |