5-propanoyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
5-propanoyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
5-propanoyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | 8010-2994 |
| Compound Name: | 5-propanoyl-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 218.25 |
| Molecular Formula: | C12 H14 N2 O2 |
| Smiles: | CCC(N1CCC(Nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.0686 |
| logD: | 1.0387 |
| logSw: | -2.1253 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.527 |
| InChI Key: | PTOCVGNHEKHEAP-UHFFFAOYSA-N |