N-(2-methoxyphenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(2-methoxyphenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
N-(2-methoxyphenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | 5471-0031 |
| Compound Name: | N-(2-methoxyphenyl)-2-[(5-methyl-5H-[1,2,4]triazino[5,6-b]indol-3-yl)sulfanyl]butanamide |
| Molecular Weight: | 407.49 |
| Molecular Formula: | C21 H21 N5 O2 S |
| Smiles: | CCC(C(Nc1ccccc1OC)=O)Sc1nc2c(c3ccccc3n2C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0022 |
| logD: | 4.0021 |
| logSw: | -4.1658 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.084 |
| InChI Key: | FULMTEGSECDPKH-KRWDZBQOSA-N |