N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Chemical Structure Depiction of
N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide
Compound characteristics
| Compound ID: | V014-1878 |
| Compound Name: | N-(5-{[2-(3-methoxyphenyl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)cyclohexanecarboxamide |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C18 H21 N3 O3 S2 |
| Smiles: | COc1cccc(c1)C(CSc1nnc(NC(C2CCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.4942 |
| logD: | 4.4877 |
| logSw: | -4.3652 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 66.947 |
| InChI Key: | JPCAMOFYJMYYCJ-UHFFFAOYSA-N |