N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](pyridin-3-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Chemical Structure Depiction of
N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](pyridin-3-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](pyridin-3-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide
Compound characteristics
| Compound ID: | D444-0792 |
| Compound Name: | N-(3-{[(4,6-dimethylpyrimidin-2-yl)amino](pyridin-3-yl)methyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)furan-2-carboxamide |
| Molecular Weight: | 459.57 |
| Molecular Formula: | C25 H25 N5 O2 S |
| Smiles: | [H]N(C(c1cccnc1)c1c2CCCCc2sc1NC(c1ccco1)=O)c1nc(C)cc(C)n1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.0509 |
| logD: | 3.6946 |
| logSw: | -3.8199 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 69.774 |
| InChI Key: | OADLRGSCHVCACO-JOCHJYFZSA-N |