5-(4-{[3-(azepan-1-yl)butyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-(4-{[3-(azepan-1-yl)butyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
5-(4-{[3-(azepan-1-yl)butyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F501-0959 |
Compound Name: | 5-(4-{[3-(azepan-1-yl)butyl]amino}-4-oxobutyl)-N-(2-methylphenyl)-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 457.64 |
Molecular Formula: | C24 H35 N5 O2 S |
Smiles: | CC(CCNC(CCCc1nnc(C(Nc2ccccc2C)=O)s1)=O)N1CCCCCC1 |
Stereo: | RACEMIC MIXTURE |
logP: | 2.6764 |
logD: | -0.314 |
logSw: | -3.0646 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 74.644 |
InChI Key: | CEZDFCIJTBHZOP-IBGZPJMESA-N |