1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]propan-1-one
Chemical Structure Depiction of
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]propan-1-one
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]propan-1-one
Compound characteristics
| Compound ID: | T599-3627 |
| Compound Name: | 1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]propan-1-one |
| Molecular Weight: | 282.36 |
| Molecular Formula: | C13 H18 N2 O3 S |
| Smiles: | CCC(N1CCCN(c2ccccc12)S(C)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1289 |
| logD: | 1.1289 |
| logSw: | -2.1835 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 46.622 |
| InChI Key: | GUCYPXUGQAHFGS-UHFFFAOYSA-N |