4-bromo-N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
Chemical Structure Depiction of
4-bromo-N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
4-bromo-N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide
Compound characteristics
| Compound ID: | Y500-3149 |
| Compound Name: | 4-bromo-N-(7-tert-butyl-2-methyl-4-oxo-5,6,7,8-tetrahydro[1]benzothieno[2,3-d]pyrimidin-3(4H)-yl)-1,3-dimethyl-1H-pyrazole-5-carboxamide |
| Molecular Weight: | 492.44 |
| Molecular Formula: | C21 H26 Br N5 O2 S |
| Smiles: | CC1=Nc2c(C(N1NC(c1c(c(C)nn1C)[Br])=O)=O)c1CCC(Cc1s2)C(C)(C)C |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.335 |
| logD: | 3.3227 |
| logSw: | -3.486 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.479 |
| InChI Key: | MQBVKBBEIDAALI-GFCCVEGCSA-N |