N-(5-chloro-2-methylphenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(5-chloro-2-methylphenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
N-(5-chloro-2-methylphenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | E513-0132 |
| Compound Name: | N-(5-chloro-2-methylphenyl)-2-[(thieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide |
| Molecular Weight: | 416.95 |
| Molecular Formula: | C19 H17 Cl N4 O S2 |
| Smiles: | CCC(C(Nc1cc(ccc1C)[Cl])=O)Sc1c2cc3c(ccs3)n2cnn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.6964 |
| logD: | 4.695 |
| logSw: | -4.7031 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 44.608 |
| InChI Key: | QJBZFWBVWGWXIW-INIZCTEOSA-N |