N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | 8013-3638 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 407.45 |
| Molecular Formula: | C20 H17 N5 O3 S |
| Smiles: | Cn1c2ccccc2c2c1nc(nn2)SCC(Nc1ccc2c(c1)OCCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.974 |
| logD: | 1.9739 |
| logSw: | -2.8669 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.761 |
| InChI Key: | SEICYBYRDXVTKL-UHFFFAOYSA-N |