N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Chemical Structure Depiction of
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
Compound characteristics
| Compound ID: | Y042-4840 |
| Compound Name: | N-(5-cyclobutyl-1,3,4-thiadiazol-2-yl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide |
| Molecular Weight: | 331.39 |
| Molecular Formula: | C16 H17 N3 O3 S |
| Smiles: | C1CC(C1)c1nnc(NC(c2ccc3c(c2)OCCCO3)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 2.3124 |
| logD: | 2.1293 |
| logSw: | -2.9489 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.28 |
| InChI Key: | KPZLHFJWVKMLMK-UHFFFAOYSA-N |