1-[5-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(3,4-diethoxyphenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(3,4-diethoxyphenyl)ethan-1-one
1-[5-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(3,4-diethoxyphenyl)ethan-1-one
Compound characteristics
| Compound ID: | T599-3887 |
| Compound Name: | 1-[5-(cyclopropanecarbonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(3,4-diethoxyphenyl)ethan-1-one |
| Molecular Weight: | 422.52 |
| Molecular Formula: | C25 H30 N2 O4 |
| Smiles: | CCOc1ccc(CC(N2CCCN(C(C3CC3)=O)c3ccccc23)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 3.6317 |
| logD: | 3.6317 |
| logSw: | -3.8164 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 45.691 |
| InChI Key: | FDSIUVBRBFIJQX-UHFFFAOYSA-N |