N-(3-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-(1-phenylethyl)heptanamide
Chemical Structure Depiction of
N-(3-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-(1-phenylethyl)heptanamide
N-(3-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-(1-phenylethyl)heptanamide
Compound characteristics
| Compound ID: | V024-4279 |
| Compound Name: | N-(3-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino}-3-oxopropyl)-N-(1-phenylethyl)heptanamide |
| Molecular Weight: | 508.64 |
| Molecular Formula: | C27 H32 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCCCCCC(N(CCC(Nc1nnc(c2ccc3c(c2)OCO3)s1)=O)C(C)c1ccccc1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.2979 |
| logD: | 6.2976 |
| logSw: | -5.2694 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 78.803 |
| InChI Key: | YHQVYWHSOCTQCD-IBGZPJMESA-N |