N-(3-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-2-bromo-N-(1-phenylethyl)benzamide
Chemical Structure Depiction of
N-(3-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-2-bromo-N-(1-phenylethyl)benzamide
N-(3-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-2-bromo-N-(1-phenylethyl)benzamide
Compound characteristics
| Compound ID: | V026-0117 |
| Compound Name: | N-(3-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-2-bromo-N-(1-phenylethyl)benzamide |
| Molecular Weight: | 579.47 |
| Molecular Formula: | C27 H23 Br N4 O4 S |
| Salt: | not_available |
| Smiles: | CC(c1ccccc1)N(CCC(Nc1nnc(c2ccc3c(c2)OCO3)s1)=O)C(c1ccccc1[Br])=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.6876 |
| logD: | 5.6873 |
| logSw: | -5.4543 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.059 |
| InChI Key: | JYMFSIZTUPOAJH-KRWDZBQOSA-N |