N-(2H-1,3-benzodioxol-5-yl)-5-{4-[2-(5-chloro-2-methylanilino)-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-(5-chloro-2-methylanilino)-2-oxoethyl]piperidine-1-carbonyl}-1,3,4-thiadiazole-2-carboxamide
N-(2H-1,3-benzodioxol-5-yl)-5-{4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperidine-1-carbonyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F865-0662 |
| Compound Name: | N-(2H-1,3-benzodioxol-5-yl)-5-{4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperidine-1-carbonyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 542.01 |
| Molecular Formula: | C25 H24 Cl N5 O5 S |
| Smiles: | Cc1ccc(cc1NC(CC1CCN(CC1)C(c1nnc(C(Nc2ccc3c(c2)OCO3)=O)s1)=O)=O)[Cl] |
| Stereo: | ACHIRAL |
| logP: | 3.6692 |
| logD: | 3.6545 |
| logSw: | -4.0771 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 102.777 |
| InChI Key: | ASKYBDOUWGDHNR-UHFFFAOYSA-N |