1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(3-methylphenyl)ethan-1-one
Chemical Structure Depiction of
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(3-methylphenyl)ethan-1-one
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(3-methylphenyl)ethan-1-one
Compound characteristics
| Compound ID: | T599-3662 |
| Compound Name: | 1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(3-methylphenyl)ethan-1-one |
| Molecular Weight: | 358.46 |
| Molecular Formula: | C19 H22 N2 O3 S |
| Smiles: | Cc1cccc(CC(N2CCCN(c3ccccc23)S(C)(=O)=O)=O)c1 |
| Stereo: | ACHIRAL |
| logP: | 3.0932 |
| logD: | 3.0932 |
| logSw: | -3.4314 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.351 |
| InChI Key: | UKRHBDIPKRQDJA-UHFFFAOYSA-N |