N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-propyl-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-[(5-propyl-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-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 3698-0054 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C23 H22 N6 O S2 |
| Smiles: | CCCn1c2ccccc2c2c1nc(nn2)SCC(Nc1c(C#N)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7987 |
| logD: | 3.7416 |
| logSw: | -4.8014 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.877 |
| InChI Key: | UMGATMNZAIAGTR-UHFFFAOYSA-N |