N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | J084-0043 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-[(5-phenyl[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 443.57 |
| Molecular Formula: | C25 H25 N5 O S |
| Smiles: | C1CCC(CCNC(CSc2nnc3c4ccccc4nc(c4ccccc4)n23)=O)=CC1 |
| Stereo: | ACHIRAL |
| logP: | 4.5816 |
| logD: | 4.5763 |
| logSw: | -4.4047 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 54.815 |
| InChI Key: | WULFBDFLHSCWHZ-UHFFFAOYSA-N |