N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Chemical Structure Depiction of
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide
Compound characteristics
| Compound ID: | Y500-2577 |
| Compound Name: | N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-5-[(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)methyl]furan-2-carboxamide |
| Molecular Weight: | 538.63 |
| Molecular Formula: | C26 H30 N6 O5 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1ccc(Cn3c(C)c(c(C)n3)[N+]([O-])=O)o1)=O)=O)c1CCC(Cc1s2)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.8813 |
| logD: | 3.8809 |
| logSw: | -4.3715 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 105.512 |
| InChI Key: | JQVMMSBHJORADH-MRXNPFEDSA-N |