4-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-4-oxobut-2-enoic acid
4-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | 6456-0689 |
| Compound Name: | 4-[(4-methyl-3-phenyl-3H-1,5-benzodiazepin-2-yl)amino]-4-oxobut-2-enoic acid |
| Molecular Weight: | 347.37 |
| Molecular Formula: | C20 H17 N3 O3 |
| Smiles: | CC1C(C(NC(/C=C/C(O)=O)=O)=Nc2ccccc2N=1)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.6534 |
| logD: | -1.3961 |
| logSw: | -3.0382 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.714 |
| InChI Key: | OOEBMBVFKDEHLL-TZZQJPOUSA-N |