N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-phenylurea
Chemical Structure Depiction of
N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-phenylurea
N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-phenylurea
Compound characteristics
| Compound ID: | G856-9909 |
| Compound Name: | N-(5-{[2-(azepan-1-yl)-2-oxoethyl]sulfanyl}-1,3,4-thiadiazol-2-yl)-N'-phenylurea |
| Molecular Weight: | 391.51 |
| Molecular Formula: | C17 H21 N5 O2 S2 |
| Smiles: | C1CCCN(CC1)C(CSc1nnc(NC(Nc2ccccc2)=O)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.9421 |
| logD: | 3.9419 |
| logSw: | -3.8976 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.899 |
| InChI Key: | GKKHEABMYKUIGC-UHFFFAOYSA-N |