N-(2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-N-(2-methylpropyl)-2-phenylbutanamide
Chemical Structure Depiction of
N-(2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-N-(2-methylpropyl)-2-phenylbutanamide
N-(2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-N-(2-methylpropyl)-2-phenylbutanamide
Compound characteristics
| Compound ID: | V024-7044 |
| Compound Name: | N-(2-{[5-(2H-1,3-benzodioxol-5-yl)-1,3,4-thiadiazol-2-yl]amino}-2-oxoethyl)-N-(2-methylpropyl)-2-phenylbutanamide |
| Molecular Weight: | 480.59 |
| Molecular Formula: | C25 H28 N4 O4 S |
| Salt: | not_available |
| Smiles: | CCC(C(N(CC(C)C)CC(Nc1nnc(c2ccc3c(c2)OCO3)s1)=O)=O)c1ccccc1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4362 |
| logD: | 5.4359 |
| logSw: | -5.4355 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 79.988 |
| InChI Key: | NGMSEDHTTFXQPX-LJQANCHMSA-N |