1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]butan-1-one
Chemical Structure Depiction of
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]butan-1-one
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]butan-1-one
Compound characteristics
| Compound ID: | T599-3629 |
| Compound Name: | 1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]butan-1-one |
| Molecular Weight: | 296.39 |
| Molecular Formula: | C14 H20 N2 O3 S |
| Smiles: | CCCC(N1CCCN(c2ccccc12)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.8839 |
| logD: | 1.8839 |
| logSw: | -2.2871 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.622 |
| InChI Key: | PFGOCHBMDOFLIM-UHFFFAOYSA-N |