N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[5-(4-methoxyphenyl)[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-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | D692-0136 |
| Compound Name: | N-[2-(cyclohex-1-en-1-yl)ethyl]-2-{[5-(4-methoxyphenyl)[1,2,4]triazolo[4,3-c]quinazolin-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 473.6 |
| Molecular Formula: | C26 H27 N5 O2 S |
| Smiles: | COc1ccc(cc1)c1nc2ccccc2c2nnc(n12)SCC(NCCC1CCCCC=1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6691 |
| logD: | 4.6658 |
| logSw: | -4.3072 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 62.359 |
| InChI Key: | GCKQXAQQEAFUSI-UHFFFAOYSA-N |