5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethoxy)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethoxy)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethoxy)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0535 |
| Compound Name: | 5-[(2-{[2-(azepan-1-yl)ethyl]amino}-2-oxoethoxy)methyl]-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 451.97 |
| Molecular Formula: | C20 H26 Cl N5 O3 S |
| Smiles: | C1CCCN(CC1)CCNC(COCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.4773 |
| logD: | 0.7448 |
| logSw: | -3.4588 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 84.118 |
| InChI Key: | UPUKIZNYPGEIAE-UHFFFAOYSA-N |