methyl 2-[(2,5-dimethyl-4-{methyl[4-(propan-2-yl)phenyl]amino}thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate
Chemical Structure Depiction of
methyl 2-[(2,5-dimethyl-4-{methyl[4-(propan-2-yl)phenyl]amino}thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate
methyl 2-[(2,5-dimethyl-4-{methyl[4-(propan-2-yl)phenyl]amino}thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | K937-0297 |
| Compound Name: | methyl 2-[(2,5-dimethyl-4-{methyl[4-(propan-2-yl)phenyl]amino}thieno[2,3-d]pyrimidine-6-carbonyl)amino]benzoate |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)N(C)c1c2c(C)c(C(Nc3ccccc3C(=O)OC)=O)sc2nc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 6.2253 |
| logD: | 5.4983 |
| logSw: | -5.8587 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 65.201 |
| InChI Key: | NCECPNGSENMOLD-UHFFFAOYSA-N |