2-(3,4-diethoxyphenyl)-1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]ethan-1-one
Chemical Structure Depiction of
2-(3,4-diethoxyphenyl)-1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]ethan-1-one
2-(3,4-diethoxyphenyl)-1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]ethan-1-one
Compound characteristics
| Compound ID: | T599-3836 |
| Compound Name: | 2-(3,4-diethoxyphenyl)-1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]ethan-1-one |
| Molecular Weight: | 432.54 |
| Molecular Formula: | C22 H28 N2 O5 S |
| Smiles: | CCOc1ccc(CC(N2CCCN(c3ccccc23)S(C)(=O)=O)=O)cc1OCC |
| Stereo: | ACHIRAL |
| logP: | 2.5109 |
| logD: | 2.5109 |
| logSw: | -2.7489 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 60.771 |
| InChI Key: | ZXFGFGPVQNABGI-UHFFFAOYSA-N |