7-chloro-9-methoxy-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzoxepine-4-carboxamide
Chemical Structure Depiction of
7-chloro-9-methoxy-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzoxepine-4-carboxamide
7-chloro-9-methoxy-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzoxepine-4-carboxamide
Compound characteristics
| Compound ID: | D443-0711 |
| Compound Name: | 7-chloro-9-methoxy-N-[5-(propylsulfanyl)-1,3,4-thiadiazol-2-yl]-1-benzoxepine-4-carboxamide |
| Molecular Weight: | 409.91 |
| Molecular Formula: | C17 H16 Cl N3 O3 S2 |
| Smiles: | CCCSc1nnc(NC(C2C=COc3c(C=2)cc(cc3OC)[Cl])=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.4275 |
| logD: | 5.4214 |
| logSw: | -5.8729 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.175 |
| InChI Key: | XBINHQWZFZTWQN-UHFFFAOYSA-N |