4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-tert-butylbenzoate
Chemical Structure Depiction of
4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-tert-butylbenzoate
4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-tert-butylbenzoate
Compound characteristics
| Compound ID: | 3030-5142 |
| Compound Name: | 4-(7-methyl-4-oxo-1,2,3,4,5,6,7,8-octahydropyrido[4',3':4,5]thieno[2,3-d]pyrimidin-2-yl)phenyl 4-tert-butylbenzoate |
| Molecular Weight: | 475.61 |
| Molecular Formula: | C27 H29 N3 O3 S |
| Smiles: | CC(C)(C)c1ccc(cc1)C(=O)Oc1ccc(cc1)C1NC(c2c3CCN(C)Cc3sc2N1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.7816 |
| logD: | 3.8445 |
| logSw: | -4.5965 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 59.988 |
| InChI Key: | LEWTUXVHNKDUEH-HSZRJFAPSA-N |