N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8004-9566 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 420.51 |
| Molecular Formula: | C20 H16 N6 O S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(CSc1nc3c(c4ccccc4[nH]3)nn1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.3288 |
| logD: | 2.2717 |
| logSw: | -3.7954 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.455 |
| InChI Key: | VMORDNOOZVRGGV-UHFFFAOYSA-N |