methyl (4-{[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0209 |
| Compound Name: | methyl (4-{[1-(2-chloroanilino)-1-oxopropan-2-yl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 429.92 |
| Molecular Formula: | C21 H20 Cl N3 O3 S |
| Smiles: | CC(C(Nc1ccccc1[Cl])=O)SC1C=C(CC(=O)OC)Nc2ccccc2N=1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.1349 |
| logD: | 4.1347 |
| logSw: | -4.1617 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.42 |
| InChI Key: | ZIHFZGHISXREMC-ZDUSSCGKSA-N |