N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-4-{methyl[4-(propan-2-yl)phenyl]amino}thieno[2,3-d]pyrimidine-6-carboxamide
Chemical Structure Depiction of
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-4-{methyl[4-(propan-2-yl)phenyl]amino}thieno[2,3-d]pyrimidine-6-carboxamide
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-4-{methyl[4-(propan-2-yl)phenyl]amino}thieno[2,3-d]pyrimidine-6-carboxamide
Compound characteristics
| Compound ID: | K937-0272 |
| Compound Name: | N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,5-dimethyl-4-{methyl[4-(propan-2-yl)phenyl]amino}thieno[2,3-d]pyrimidine-6-carboxamide |
| Molecular Weight: | 488.61 |
| Molecular Formula: | C27 H28 N4 O3 S |
| Smiles: | CC(C)c1ccc(cc1)N(C)c1c2c(C)c(C(Nc3ccc4c(c3)OCCO4)=O)sc2nc(C)n1 |
| Stereo: | ACHIRAL |
| logP: | 5.2751 |
| logD: | 5.2633 |
| logSw: | -5.3414 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.548 |
| InChI Key: | JQWWNXMTTBRXES-UHFFFAOYSA-N |