(4-methyl-1,3-thiazol-5-yl)[(7E)-3-[4-(morpholin-4-yl)phenyl]-7-{[4-(morpholin-4-yl)phenyl]methylidene}-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Chemical Structure Depiction of
(4-methyl-1,3-thiazol-5-yl)[(7E)-3-[4-(morpholin-4-yl)phenyl]-7-{[4-(morpholin-4-yl)phenyl]methylidene}-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
(4-methyl-1,3-thiazol-5-yl)[(7E)-3-[4-(morpholin-4-yl)phenyl]-7-{[4-(morpholin-4-yl)phenyl]methylidene}-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone
Compound characteristics
| Compound ID: | Y501-7397 |
| Compound Name: | (4-methyl-1,3-thiazol-5-yl)[(7E)-3-[4-(morpholin-4-yl)phenyl]-7-{[4-(morpholin-4-yl)phenyl]methylidene}-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]methanone |
| Molecular Weight: | 583.75 |
| Molecular Formula: | C33 H37 N5 O3 S |
| Smiles: | Cc1c(C(N2C(C3CCC/C(=C\c4ccc(cc4)N4CCOCC4)C3=N2)c2ccc(cc2)N2CCOCC2)=O)scn1 |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.2505 |
| logD: | 5.2504 |
| logSw: | -5.0188 |
| Hydrogen bond acceptors count: | 6 |
| Polar surface area: | 58.476 |
| InChI Key: | SEZBQIVMXUPAFS-UHFFFAOYSA-N |