N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N'-[3-(methylsulfanyl)phenyl]urea
Chemical Structure Depiction of
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N'-[3-(methylsulfanyl)phenyl]urea
N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N'-[3-(methylsulfanyl)phenyl]urea
Compound characteristics
| Compound ID: | G588-0334 |
| Compound Name: | N-(4,5,6,7,8,9-hexahydrocycloocta[d][1,3]thiazol-2-yl)-N'-[3-(methylsulfanyl)phenyl]urea |
| Molecular Weight: | 347.5 |
| Molecular Formula: | C17 H21 N3 O S2 |
| Smiles: | CSc1cccc(c1)NC(Nc1nc2CCCCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 5.7196 |
| logD: | 5.7117 |
| logSw: | -5.2332 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 44.34 |
| InChI Key: | ZQKNKTZGHUGYRI-UHFFFAOYSA-N |