N-[2-(4-chlorophenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)propanamide
Chemical Structure Depiction of
N-[2-(4-chlorophenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)propanamide
N-[2-(4-chlorophenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)propanamide
Compound characteristics
| Compound ID: | C785-1191 |
| Compound Name: | N-[2-(4-chlorophenyl)ethyl]-2-(5-methyl-8-oxothieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-7(8H)-yl)propanamide |
| Molecular Weight: | 414.91 |
| Molecular Formula: | C20 H19 Cl N4 O2 S |
| Smiles: | CC(C(NCCc1ccc(cc1)[Cl])=O)N1C(c2cc3c(ccs3)n2C(C)=N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.2745 |
| logD: | 3.2745 |
| logSw: | -3.7189 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.454 |
| InChI Key: | UTAALCQLWCKUGO-LBPRGKRZSA-N |