N-(3-chloro-4-methylphenyl)-2-[(5-ethylfuro[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-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
N-(3-chloro-4-methylphenyl)-2-[(5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | E514-0748 |
| Compound Name: | N-(3-chloro-4-methylphenyl)-2-[(5-ethylfuro[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide |
| Molecular Weight: | 428.94 |
| Molecular Formula: | C21 H21 Cl N4 O2 S |
| Smiles: | CCC(C(Nc1ccc(C)c(c1)[Cl])=O)Sc1c2cc3c(cco3)n2c(CC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4846 |
| logD: | 5.4772 |
| logSw: | -5.9346 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.13 |
| InChI Key: | ZYJHDFQWGNNDNM-SFHVURJKSA-N |