N-(3-chlorophenyl)-5-{[2-(cycloheptylamino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-{[2-(cycloheptylamino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-{[2-(cycloheptylamino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F500-0411 |
| Compound Name: | N-(3-chlorophenyl)-5-{[2-(cycloheptylamino)-2-oxoethoxy]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 422.93 |
| Molecular Formula: | C19 H23 Cl N4 O3 S |
| Smiles: | C1CCCC(CC1)NC(COCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.784 |
| logD: | 3.7807 |
| logSw: | -4.1959 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 80.02 |
| InChI Key: | ZNBQWOXNIAQUSY-UHFFFAOYSA-N |