5-[(4-chlorophenoxy)methyl]-N-(3-{[3-(pyrrolidin-1-yl)butyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(4-chlorophenoxy)methyl]-N-(3-{[3-(pyrrolidin-1-yl)butyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(4-chlorophenoxy)methyl]-N-(3-{[3-(pyrrolidin-1-yl)butyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0107 |
| Compound Name: | 5-[(4-chlorophenoxy)methyl]-N-(3-{[3-(pyrrolidin-1-yl)butyl]carbamoyl}phenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 514.05 |
| Molecular Formula: | C25 H28 Cl N5 O3 S |
| Smiles: | CC(CCNC(c1cccc(c1)NC(c1nnc(COc2ccc(cc2)[Cl])s1)=O)=O)N1CCCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.7799 |
| logD: | 0.3852 |
| logSw: | -4.3135 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.818 |
| InChI Key: | WWANCWADJFVKEC-KRWDZBQOSA-N |