N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-chloropropanamide
Chemical Structure Depiction of
N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-chloropropanamide
N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-chloropropanamide
Compound characteristics
| Compound ID: | V027-6096 |
| Compound Name: | N-(5-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-2-chloropropanamide |
| Molecular Weight: | 420.73 |
| Molecular Formula: | C13 H11 Br Cl N3 O2 S2 |
| Salt: | not_available |
| Smiles: | CC(C(Nc1nnc(SCC(c2ccc(cc2)[Br])=O)s1)=O)[Cl] |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.2189 |
| logD: | 4.1601 |
| logSw: | -4.2126 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 59.482 |
| InChI Key: | OEMTWNDMBTUVLE-ZETCQYMHSA-N |