ethyl 4-(butyl{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)benzoate
Chemical Structure Depiction of
ethyl 4-(butyl{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)benzoate
ethyl 4-(butyl{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)benzoate
Compound characteristics
| Compound ID: | 8016-1948 |
| Compound Name: | ethyl 4-(butyl{[(5-propyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]acetyl}amino)benzoate |
| Molecular Weight: | 505.64 |
| Molecular Formula: | C27 H31 N5 O3 S |
| Smiles: | CCCCN(C(CSc1nc2c(c3ccccc3n2CCC)nn1)=O)c1ccc(cc1)C(=O)OCC |
| Stereo: | ACHIRAL |
| logP: | 6.1904 |
| logD: | 6.1904 |
| logSw: | -5.6827 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 69.056 |
| InChI Key: | SJTMVQLAKSNRIH-UHFFFAOYSA-N |