N-(3-chlorophenyl)-5-{[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Chemical Structure Depiction of
N-(3-chlorophenyl)-5-{[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
N-(3-chlorophenyl)-5-{[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide
Compound characteristics
| Compound ID: | F499-0447 |
| Compound Name: | N-(3-chlorophenyl)-5-{[(2-{[2-(cyclohex-1-en-1-yl)ethyl]amino}-2-oxoethyl)sulfanyl]methyl}-1,3,4-thiadiazole-2-carboxamide |
| Molecular Weight: | 451.01 |
| Molecular Formula: | C20 H23 Cl N4 O2 S2 |
| Smiles: | C1CCC(CCNC(CSCc2nnc(C(Nc3cccc(c3)[Cl])=O)s2)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.1324 |
| logD: | 4.1291 |
| logSw: | -4.4032 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.563 |
| InChI Key: | NHSCBYFYBZHGKF-UHFFFAOYSA-N |