N-(3,5-dimethoxyphenyl)-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3,5-dimethoxyphenyl)-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
N-(3,5-dimethoxyphenyl)-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | C201-1181 |
| Compound Name: | N-(3,5-dimethoxyphenyl)-2-[(8,9,10,11-tetrahydro[1]benzothieno[3,2-e][1,2,4]triazolo[4,3-c]pyrimidin-3-yl)sulfanyl]acetamide |
| Molecular Weight: | 455.56 |
| Molecular Formula: | C21 H21 N5 O3 S2 |
| Smiles: | COc1cc(cc(c1)OC)NC(CSc1nnc2c3c4CCCCc4sc3N=Cn12)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6042 |
| logD: | 3.604 |
| logSw: | -4.0363 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 72.072 |
| InChI Key: | BXZUTMAMVQRQIM-UHFFFAOYSA-N |