5-(prop-2-enoyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
5-(prop-2-enoyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
5-(prop-2-enoyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | T001-0723 |
| Compound Name: | 5-(prop-2-enoyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 216.24 |
| Molecular Formula: | C12 H12 N2 O2 |
| Smiles: | C=CC(N1CCC(Nc2ccccc12)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.9321 |
| logD: | 0.9114 |
| logSw: | -2.0107 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.527 |
| InChI Key: | XDGPVEJIMIYYKC-UHFFFAOYSA-N |