N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-2-[3-(2H-tetrazol-2-yl)adamantan-1-yl]acetamide
Chemical Structure Depiction of
N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-2-[3-(2H-tetrazol-2-yl)adamantan-1-yl]acetamide
N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-2-[3-(2H-tetrazol-2-yl)adamantan-1-yl]acetamide
Compound characteristics
| Compound ID: | Y501-7952 |
| Compound Name: | N-(2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-2-[3-(2H-tetrazol-2-yl)adamantan-1-yl]acetamide |
| Molecular Weight: | 479.6 |
| Molecular Formula: | C24 H29 N7 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(CC13CC4CC(C1)CC(C4)(C3)n1ncnn1)=O)=O)c1CCCCc1s2 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.315 |
| logD: | 3.3148 |
| logSw: | -3.6196 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.341 |
| InChI Key: | CXYFLBGAYKYBKO-UHFFFAOYSA-N |