N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide
Chemical Structure Depiction of
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide
Compound characteristics
| Compound ID: | Y041-4861 |
| Compound Name: | N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(3S)-2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl]acetamide |
| Molecular Weight: | 397.43 |
| Molecular Formula: | C21 H23 N3 O5 |
| Smiles: | COc1ccc(CCNC(C[C@H]2C(Nc3ccccc3C(N2)=O)=O)=O)cc1OC |
| Stereo: | ABSOLUTE |
| logP: | 0.7498 |
| logD: | 0.7374 |
| logSw: | -2.3409 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 90.524 |
| InChI Key: | XZRQZQADQRJBCM-INIZCTEOSA-N |