7-bromo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-bromo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide
7-bromo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0425 |
| Compound Name: | 7-bromo-N-[3-(2-oxopropyl)-1,2,4-thiadiazol-5-yl]-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 406.26 |
| Molecular Formula: | C16 H12 Br N3 O3 S |
| Smiles: | CC(Cc1nc(NC(C2C=COc3ccc(cc3C=2)[Br])=O)sn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7 |
| logD: | 3.6576 |
| logSw: | -4.0385 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.139 |
| InChI Key: | GYLPPPYINPWESL-UHFFFAOYSA-N |