N-(3-chlorophenyl)-5-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
Compound ID: | F736-1070 |
Compound Name: | N-(3-chlorophenyl)-5-({2-[(3-methylbutyl)amino]-2-oxoethyl}sulfanyl)-1,3,4-thiadiazole-2-carboxamide |
Molecular Weight: | 398.93 |
Molecular Formula: | C16 H19 Cl N4 O2 S2 |
Smiles: | CC(C)CCNC(CSc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
Stereo: | ACHIRAL |
logP: | 3.7756 |
logD: | 3.7747 |
logSw: | -4.1095 |
Hydrogen bond acceptors count: | 7 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 70.508 |
InChI Key: | RGVJKVURBCESQK-UHFFFAOYSA-N |