N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamide
Compound characteristics
| Compound ID: | F402-0233 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]acetamide |
| Molecular Weight: | 512.38 |
| Molecular Formula: | C23 H18 Br N3 O4 S |
| Smiles: | C1C(c2ccc(s2)[Br])=Nc2ccccc2N(CC(NCc2ccc3c(c2)OCO3)=O)C1=O |
| Stereo: | ACHIRAL |
| logP: | 4.252 |
| logD: | 4.252 |
| logSw: | -4.3918 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.195 |
| InChI Key: | JBSZCUXCROSOOX-UHFFFAOYSA-N |