2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(3-hydroxy-2-oxoquinoxalin-1(2H)-yl)ethyl]acetamide
Chemical Structure Depiction of
2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(3-hydroxy-2-oxoquinoxalin-1(2H)-yl)ethyl]acetamide
2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(3-hydroxy-2-oxoquinoxalin-1(2H)-yl)ethyl]acetamide
Compound characteristics
| Compound ID: | J100-0311 |
| Compound Name: | 2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]-N-[2-(3-hydroxy-2-oxoquinoxalin-1(2H)-yl)ethyl]acetamide |
| Molecular Weight: | 421.41 |
| Molecular Formula: | C21 H19 N5 O5 |
| Smiles: | C(C(NCCN1C(C(=Nc2ccccc12)O)=O)=O)[C@H]1C(Nc2ccccc2C(N1)=O)=O |
| Stereo: | ABSOLUTE |
| logP: | -0.2744 |
| logD: | -0.3323 |
| logSw: | -2.2432 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 114.982 |
| InChI Key: | QTLYGLAQZRDGRY-HNNXBMFYSA-N |