2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Chemical Structure Depiction of
2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide
Compound characteristics
| Compound ID: | F402-0271 |
| Compound Name: | 2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]acetamide |
| Molecular Weight: | 528.42 |
| Molecular Formula: | C24 H22 Br N3 O4 S |
| Smiles: | COc1cccc(CNC(CN2C(CC(c3ccc(s3)[Br])=Nc3ccccc23)=O)=O)c1OC |
| Stereo: | ACHIRAL |
| logP: | 4.4799 |
| logD: | 4.4798 |
| logSw: | -4.3613 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.427 |
| InChI Key: | XVBMPTVEWCLULC-UHFFFAOYSA-N |