ethyl 2-{2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
Chemical Structure Depiction of
ethyl 2-{2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
ethyl 2-{2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate
Compound characteristics
| Compound ID: | F402-0178 |
| Compound Name: | ethyl 2-{2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamido}benzoate |
| Molecular Weight: | 526.41 |
| Molecular Formula: | C24 H20 Br N3 O4 S |
| Smiles: | CCOC(c1ccccc1NC(CN1C(CC(c2ccc(s2)[Br])=Nc2ccccc12)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.0294 |
| logD: | 5.003 |
| logSw: | -4.5271 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.813 |
| InChI Key: | DCDMWOOYDDXAEK-UHFFFAOYSA-N |