methyl (4-{[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Chemical Structure Depiction of
methyl (4-{[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
methyl (4-{[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate
Compound characteristics
| Compound ID: | F405-0909 |
| Compound Name: | methyl (4-{[2-(2-bromo-4-methylanilino)-2-oxoethyl]sulfanyl}-1H-1,5-benzodiazepin-2-yl)acetate |
| Molecular Weight: | 474.37 |
| Molecular Formula: | C21 H20 Br N3 O3 S |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CSC1C=C(CC(=O)OC)Nc2ccccc2N=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1063 |
| logD: | 4.1062 |
| logSw: | -4.2723 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.206 |
| InChI Key: | QIMGUOLKAHLNPT-UHFFFAOYSA-N |