N-[4-(butan-2-yl)phenyl]-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Chemical Structure Depiction of
N-[4-(butan-2-yl)phenyl]-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
N-[4-(butan-2-yl)phenyl]-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide
Compound characteristics
| Compound ID: | 8012-4651 |
| Compound Name: | N-[4-(butan-2-yl)phenyl]-2-{[5-(2-phenylethyl)-5H-[1,2,4]triazino[5,6-b]indol-3-yl]sulfanyl}acetamide |
| Molecular Weight: | 495.65 |
| Molecular Formula: | C29 H29 N5 O S |
| Smiles: | CCC(C)c1ccc(cc1)NC(CSc1nc2c(c3ccccc3n2CCc2ccccc2)nn1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.9534 |
| logD: | 6.9534 |
| logSw: | -5.9689 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 55.834 |
| InChI Key: | WPIBQKLFCONNPK-FQEVSTJZSA-N |