2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
Chemical Structure Depiction of
2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide
Compound characteristics
| Compound ID: | Y043-3982 |
| Compound Name: | 2-(2,5-dioxo-2,3,4,5-tetrahydro-1H-1,4-benzodiazepin-3-yl)-N-[5-(oxolan-2-yl)-1,3,4-thiadiazol-2-yl]acetamide |
| Molecular Weight: | 387.42 |
| Molecular Formula: | C17 H17 N5 O4 S |
| Smiles: | C1CC(c2nnc(NC(CC3C(Nc4ccccc4C(N3)=O)=O)=O)s2)OC1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 0.9471 |
| logD: | 0.7774 |
| logSw: | -2.335 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.785 |
| InChI Key: | MLIIGWXVSZDFCB-RYUDHWBXSA-N |