N-(3-chloro-4-methoxyphenyl)-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Chemical Structure Depiction of
N-(3-chloro-4-methoxyphenyl)-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
N-(3-chloro-4-methoxyphenyl)-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide
Compound characteristics
| Compound ID: | E513-1075 |
| Compound Name: | N-(3-chloro-4-methoxyphenyl)-2-[(5-ethylthieno[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]butanamide |
| Molecular Weight: | 461 |
| Molecular Formula: | C21 H21 Cl N4 O2 S2 |
| Smiles: | CCC(C(Nc1ccc(c(c1)[Cl])OC)=O)Sc1c2cc3c(ccs3)n2c(CC)nn1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.2293 |
| logD: | 5.2215 |
| logSw: | -5.7235 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.307 |
| InChI Key: | MSQMVVKNAFCPGC-KRWDZBQOSA-N |