methyl {5-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Chemical Structure Depiction of
methyl {5-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
methyl {5-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate
Compound characteristics
| Compound ID: | C201-1436 |
| Compound Name: | methyl {5-[2-(2-bromo-4-methylanilino)-2-oxoethyl]-4-oxo-4,5-dihydro-1H-1,5-benzodiazepin-2-yl}acetate |
| Molecular Weight: | 458.31 |
| Molecular Formula: | C21 H20 Br N3 O4 |
| Smiles: | Cc1ccc(c(c1)[Br])NC(CN1C(C=C(CC(=O)OC)Nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1998 |
| logD: | 2.8383 |
| logSw: | -3.4926 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.606 |
| InChI Key: | WVIDTRLDSCNHBH-UHFFFAOYSA-N |