2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
Chemical Structure Depiction of
2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide
Compound characteristics
| Compound ID: | F402-0165 |
| Compound Name: | 2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-(3,5-dimethoxyphenyl)acetamide |
| Molecular Weight: | 514.4 |
| Molecular Formula: | C23 H20 Br N3 O4 S |
| Smiles: | COc1cc(cc(c1)OC)NC(CN1C(CC(c2ccc(s2)[Br])=Nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9002 |
| logD: | 4.8999 |
| logSw: | -4.5345 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.845 |
| InChI Key: | DMQXHYAHYBZFKE-UHFFFAOYSA-N |