1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Chemical Structure Depiction of
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(3-methylphenoxy)ethan-1-one
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(3-methylphenoxy)ethan-1-one
Compound characteristics
| Compound ID: | T599-3622 |
| Compound Name: | 1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(3-methylphenoxy)ethan-1-one |
| Molecular Weight: | 374.46 |
| Molecular Formula: | C19 H22 N2 O4 S |
| Smiles: | Cc1cccc(c1)OCC(N1CCCN(c2ccccc12)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.396 |
| logD: | 2.396 |
| logSw: | -2.6202 |
| Hydrogen bond acceptors count: | 7 |
| Polar surface area: | 53.85 |
| InChI Key: | ILMNSVSZAKORSY-UHFFFAOYSA-N |