N-(3-chloro-4-methylphenyl)-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methylphenyl)-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
N-(3-chloro-4-methylphenyl)-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | E513-0904 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-[(5-methylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide |
| Molecular Weight: | 430.98 |
| Molecular Formula: | C20 H19 Cl N4 O S2 |
| Smiles: | CCC(C(Nc1ccc(C)c(c1)[Cl])=O)Sc1c2cc3c(ccs3)n2c(C)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4787 |
| logD: | 5.4727 |
| logSw: | -5.9346 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 45.477 |
| InChI Key: | SSPDTVYCSILAMS-KRWDZBQOSA-N |