N-[4-(morpholine-4-carbonyl)phenyl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-(morpholine-4-carbonyl)phenyl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-[4-(morpholine-4-carbonyl)phenyl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8016-8910 |
| Compound Name: | N-[4-(morpholine-4-carbonyl)phenyl]-2-{[5-(prop-2-en-1-yl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 488.57 |
| Molecular Formula: | C25 H24 N6 O3 S |
| Smiles: | C=CCn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc(cc1)C(N1CCOCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.677 |
| logD: | 2.6767 |
| logSw: | -3.1724 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 80.663 |
| InChI Key: | LHWAODRTMLBTQD-UHFFFAOYSA-N |