N,N'-(4-methyl-1,3-phenylene)bis{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide}
Chemical Structure Depiction of
N,N'-(4-methyl-1,3-phenylene)bis{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide}
N,N'-(4-methyl-1,3-phenylene)bis{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide}
Compound characteristics
| Compound ID: | 8007-4195 |
| Compound Name: | N,N'-(4-methyl-1,3-phenylene)bis{2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetamide} |
| Molecular Weight: | 634.74 |
| Molecular Formula: | C31 H26 N10 O2 S2 |
| Smiles: | Cc1ccc(cc1NC(CSc1nc2c(c3ccccc3n2C)nn1)=O)NC(CSc1nc2c(c3ccccc3n2C)nn1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.7726 |
| logD: | 3.7726 |
| logSw: | -3.994 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 112.939 |
| InChI Key: | XZRSGQKAXYUYNH-UHFFFAOYSA-N |