N-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
N-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F912-0096 |
| Compound Name: | N-(3-{[2-(azepan-1-yl)ethyl]carbamoyl}phenyl)-5-[(4-chlorophenoxy)methyl]-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 514.05 |
| Molecular Formula: | C25 H28 Cl N5 O3 S |
| Smiles: | C1CCCN(CC1)CCNC(c1cccc(c1)NC(c1nnc(COc2ccc(cc2)[Cl])s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3472 |
| logD: | 3.3705 |
| logSw: | -4.5701 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 83.125 |
| InChI Key: | LJYOXNJRZAEJRL-UHFFFAOYSA-N |