N-(5-chloro-2,4-dimethoxyphenyl)-2-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | E514-0116 |
| Compound Name: | N-(5-chloro-2,4-dimethoxyphenyl)-2-[(furo[2',3':4,5]pyrrolo[1,2-d][1,2,4]triazin-8-yl)sulfanyl]acetamide |
| Molecular Weight: | 418.86 |
| Molecular Formula: | C18 H15 Cl N4 O4 S |
| Smiles: | COc1cc(c(cc1NC(CSc1c2cc3c(cco3)n2cnn1)=O)[Cl])OC |
| Stereo: | ACHIRAL |
| logP: | 2.6375 |
| logD: | 2.6277 |
| logSw: | -3.4563 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 67.109 |
| InChI Key: | JCSKNLTYXLSLJF-UHFFFAOYSA-N |