N-{(4-ethylanilino)[(6-oxo-4-{[(pyrimidin-2-yl)sulfanyl]methyl}-1,6-dihydropyrimidin-2-yl)amino]methylidene}benzamide
Chemical Structure Depiction of
N-{(4-ethylanilino)[(6-oxo-4-{[(pyrimidin-2-yl)sulfanyl]methyl}-1,6-dihydropyrimidin-2-yl)amino]methylidene}benzamide
N-{(4-ethylanilino)[(6-oxo-4-{[(pyrimidin-2-yl)sulfanyl]methyl}-1,6-dihydropyrimidin-2-yl)amino]methylidene}benzamide
Compound characteristics
| Compound ID: | Y021-1978 |
| Compound Name: | N-{(4-ethylanilino)[(6-oxo-4-{[(pyrimidin-2-yl)sulfanyl]methyl}-1,6-dihydropyrimidin-2-yl)amino]methylidene}benzamide |
| Molecular Weight: | 485.57 |
| Molecular Formula: | C25 H23 N7 O2 S |
| Smiles: | CCc1ccc(cc1)N\C(NC1NC(C=C(CSc2ncccn2)N=1)=O)=N/C(c1ccccc1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.6547 |
| logD: | 3.05 |
| logSw: | -3.7996 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 94.228 |
| InChI Key: | AQGUXOAYRLBXIO-UHFFFAOYSA-N |