2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
Chemical Structure Depiction of
2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
Compound characteristics
Compound ID: | F402-0156 |
Compound Name: | 2-[4-(5-bromothiophen-2-yl)-2-oxo-2,3-dihydro-1H-1,5-benzodiazepin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide |
Molecular Weight: | 496.42 |
Molecular Formula: | C24 H22 Br N3 O2 S |
Smiles: | Cc1cc(C)c(c(C)c1)NC(CN1C(CC(c2ccc(s2)[Br])=Nc2ccccc12)=O)=O |
Stereo: | ACHIRAL |
logP: | 5.2744 |
logD: | 5.2744 |
logSw: | -5.1166 |
Hydrogen bond acceptors count: | 5 |
Hydrogen bond donors count: | 1 |
Polar surface area: | 47.362 |
InChI Key: | AYKPSUWUIGKYJS-UHFFFAOYSA-N |