5-(3-chloropropanoyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Chemical Structure Depiction of
5-(3-chloropropanoyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
5-(3-chloropropanoyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one
Compound characteristics
| Compound ID: | 8010-2998 |
| Compound Name: | 5-(3-chloropropanoyl)-1,3,4,5-tetrahydro-2H-1,5-benzodiazepin-2-one |
| Molecular Weight: | 252.7 |
| Molecular Formula: | C12 H13 Cl N2 O2 |
| Smiles: | C1CN(C(CC[Cl])=O)c2ccccc2NC1=O |
| Stereo: | ACHIRAL |
| logP: | 1.3033 |
| logD: | 1.2734 |
| logSw: | -1.8622 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 40.527 |
| InChI Key: | YOBHYJUVYSIBOA-UHFFFAOYSA-N |