1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(thiophen-3-yl)ethan-1-one
Chemical Structure Depiction of
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(thiophen-3-yl)ethan-1-one
1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(thiophen-3-yl)ethan-1-one
Compound characteristics
| Compound ID: | T599-3585 |
| Compound Name: | 1-[5-(methanesulfonyl)-2,3,4,5-tetrahydro-1H-1,5-benzodiazepin-1-yl]-2-(thiophen-3-yl)ethan-1-one |
| Molecular Weight: | 350.46 |
| Molecular Formula: | C16 H18 N2 O3 S2 |
| Smiles: | CS(N1CCCN(C(Cc2ccsc2)=O)c2ccccc12)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.1526 |
| logD: | 2.1526 |
| logSw: | -2.3782 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 47.369 |
| InChI Key: | GOJSZIHYILMSDD-UHFFFAOYSA-N |