4-[5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbonyl]benzonitrile
Chemical Structure Depiction of
4-[5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbonyl]benzonitrile
4-[5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbonyl]benzonitrile
Compound characteristics
| Compound ID: | T599-0594 |
| Compound Name: | 4-[5-(2-phenylethyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepine-1-carbonyl]benzonitrile |
| Molecular Weight: | 381.48 |
| Molecular Formula: | C25 H23 N3 O |
| Smiles: | C1CN(CCc2ccccc2)c2ccccc2N(C1)C(c1ccc(C#N)cc1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.5989 |
| logD: | 4.5989 |
| logSw: | -4.4303 |
| Hydrogen bond acceptors count: | 3 |
| Polar surface area: | 35.559 |
| InChI Key: | AHHASPFHNQLXPN-UHFFFAOYSA-N |