N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide
N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F854-0646 |
Compound Name: | N-(3-{[3-(azepan-1-yl)propyl]carbamoyl}phenyl)-5-propyl-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 429.58 |
Molecular Formula: | C22 H31 N5 O2 S |
Smiles: | CCCc1nnc(C(Nc2cccc(c2)C(NCCCN2CCCCCC2)=O)=O)s1 |
Stereo: | ACHIRAL |
logP: | 3.58 |
logD: | 1.0093 |
logSw: | -3.6475 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 75.897 |
InChI Key: | OTFFXTJWYZTIOM-UHFFFAOYSA-N |