ethyl [1-oxo-11-(1H-pyrrol-1-yl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':4,5]pyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]acetate
Chemical Structure Depiction of
ethyl [1-oxo-11-(1H-pyrrol-1-yl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':4,5]pyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]acetate
ethyl [1-oxo-11-(1H-pyrrol-1-yl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':4,5]pyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]acetate
Compound characteristics
| Compound ID: | C793-0240 |
| Compound Name: | ethyl [1-oxo-11-(1H-pyrrol-1-yl)-7,8,9,10-tetrahydro[1]benzothieno[3',2':4,5]pyrrolo[1,2-d][1,2,4]triazin-2(1H)-yl]acetate |
| Molecular Weight: | 396.47 |
| Molecular Formula: | C20 H20 N4 O3 S |
| Smiles: | CCOC(CN1C(c2c(c3c4CCCCc4sc3n2C=N1)n1cccc1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.21 |
| logD: | 3.094 |
| logSw: | -3.5514 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 54.048 |
| InChI Key: | ZGXVTTHWBJRGOG-UHFFFAOYSA-N |