N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-5-(4-bromophenyl)-1,2-oxazole-3-carboxamide
Chemical Structure Depiction of
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-5-(4-bromophenyl)-1,2-oxazole-3-carboxamide
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-5-(4-bromophenyl)-1,2-oxazole-3-carboxamide
Compound characteristics
| Compound ID: | C795-0146 |
| Compound Name: | N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-5-(4-bromophenyl)-1,2-oxazole-3-carboxamide |
| Molecular Weight: | 448.34 |
| Molecular Formula: | C18 H18 Br N5 O2 S |
| Smiles: | C1CCCN(CC1)c1nnc(NC(c2cc(c3ccc(cc3)[Br])on2)=O)s1 |
| Stereo: | ACHIRAL |
| logP: | 5.4422 |
| logD: | 5.4417 |
| logSw: | -5.7309 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.008 |
| InChI Key: | ZJJNUJOOFJRUAR-UHFFFAOYSA-N |