N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide
Chemical Structure Depiction of
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide
N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide
Compound characteristics
| Compound ID: | Y042-6212 |
| Compound Name: | N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-[(3R)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]propanamide |
| Molecular Weight: | 381.39 |
| Molecular Formula: | C20 H19 N3 O5 |
| Smiles: | C(C[C@@H]1C(Nc2ccccc2C(N1)=O)=O)C(NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ABSOLUTE |
| logP: | 1.9905 |
| logD: | 1.98 |
| logSw: | -2.814 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 92.537 |
| InChI Key: | JTLKFWZNXPKHRP-HNNXBMFYSA-N |