3-(3-methyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Chemical Structure Depiction of
3-(3-methyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
3-(3-methyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)propanamide
Compound characteristics
| Compound ID: | Y500-1411 |
| Compound Name: | 3-(3-methyl-4-nitro-1H-pyrazol-1-yl)-N-(2-methyl-4-oxo-5,6,7,8,9,10-hexahydrocycloocta[4,5]thieno[2,3-d]pyrimidin-3(4H)-yl)propanamide |
| Molecular Weight: | 444.51 |
| Molecular Formula: | C20 H24 N6 O4 S |
| Smiles: | CC1=Nc2c(C(N1NC(CCn1cc(c(C)n1)[N+]([O-])=O)=O)=O)c1CCCCCCc1s2 |
| Stereo: | ACHIRAL |
| logP: | 2.363 |
| logD: | 2.3629 |
| logSw: | -2.4095 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.916 |
| InChI Key: | QWXCBJROFDIKOP-UHFFFAOYSA-N |