N-(2H-1,3-benzodioxol-5-yl)-5-[4-(2-{[1-(3,4-dimethylphenyl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(2H-1,3-benzodioxol-5-yl)-5-[4-(2-{[1-(3,4-dimethylphenyl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-[4-(2-{[1-(3,4-dimethylphenyl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F865-0727 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-[4-(2-{[1-(3,4-dimethylphenyl)ethyl]amino}-2-oxoethyl)piperidine-1-carbonyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 549.65 |
| Molecular Formula: | C28 H31 N5 O5 S |
| Smiles: | CC(c1ccc(C)c(C)c1)NC(CC1CCN(CC1)C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.5822 |
| logD: | 4.5675 |
| logSw: | -4.4401 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 103.961 |
| InChI Key: | RLPJLCDDJQHXBL-SFHVURJKSA-N |