5-[(4-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one
Chemical Structure Depiction of
5-[(4-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one
5-[(4-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one
Compound characteristics
| Compound ID: | 8012-0179 |
| Compound Name: | 5-[(4-{[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methoxy}-3-methoxyphenyl)methylidene]-3-(4-fluorophenyl)-2-[(4-fluorophenyl)imino]-1,3-thiazolidin-4-one |
| Molecular Weight: | 631.66 |
| Molecular Formula: | C31 H27 F2 N7 O4 S |
| Smiles: | COc1cc(\C=C2/C(N(/C(=N/c3ccc(cc3)F)S2)c2ccc(cc2)F)=O)ccc1OCc1nc(N)nc(n1)N1CCOCC1 |
| Stereo: | ACHIRAL |
| logP: | 4.561 |
| logD: | 4.561 |
| logSw: | -4.5861 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 100.808 |
| InChI Key: | HRBLHPGLTJXTCA-UHFFFAOYSA-N |