N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide
N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0124 |
| Compound Name: | N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 327.36 |
| Molecular Formula: | C16 H13 N3 O3 S |
| Smiles: | CC(Cc1nc(NC(C2C=COc3ccccc3C=2)=O)sn1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.9607 |
| logD: | 2.9182 |
| logSw: | -3.4408 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.139 |
| InChI Key: | DHAHLUBKJKKLLD-UHFFFAOYSA-N |