5-({[2-(butylamino)-2-oxoethyl]sulfanyl}methyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
5-({[2-(butylamino)-2-oxoethyl]sulfanyl}methyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
5-({[2-(butylamino)-2-oxoethyl]sulfanyl}methyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0466 |
| Compound Name: | 5-({[2-(butylamino)-2-oxoethyl]sulfanyl}methyl)-N-(3-chlorophenyl)-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 398.93 |
| Molecular Formula: | C16 H19 Cl N4 O2 S2 |
| Smiles: | CCCCNC(CSCc1nnc(C(Nc2cccc(c2)[Cl])=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6409 |
| logD: | 3.6376 |
| logSw: | -3.8806 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.642 |
| InChI Key: | CCYRYDNBEUWRGL-UHFFFAOYSA-N |