N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-tert-butylurea
Chemical Structure Depiction of
N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-tert-butylurea
N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-tert-butylurea
Compound characteristics
| Compound ID: | G856-9877 |
| Compound Name: | N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-tert-butylurea |
| Molecular Weight: | 371.52 |
| Molecular Formula: | C15 H25 N5 O2 S2 |
| Smiles: | CC(C)(C)NC(Nc1nnc(SCC(N2CCCCCC2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.5227 |
| logD: | 3.5227 |
| logSw: | -3.6695 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 72.317 |
| InChI Key: | HMBPJAXUSDNUJZ-UHFFFAOYSA-N |