(5Z)-8-chloro-5-{(2E)-3-[4-(dimethylamino)phenyl]-1-hydroxyprop-2-en-1-ylidene}-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Chemical Structure Depiction of
(5Z)-8-chloro-5-{(2E)-3-[4-(dimethylamino)phenyl]-1-hydroxyprop-2-en-1-ylidene}-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
(5Z)-8-chloro-5-{(2E)-3-[4-(dimethylamino)phenyl]-1-hydroxyprop-2-en-1-ylidene}-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one
Compound characteristics
| Compound ID: | K273-0156 |
| Compound Name: | (5Z)-8-chloro-5-{(2E)-3-[4-(dimethylamino)phenyl]-1-hydroxyprop-2-en-1-ylidene}-2,3-dimethyl-2,3,5,6-tetrahydro-4H-2,6-methano-1,3-benzoxazocin-4-one |
| Molecular Weight: | 424.93 |
| Molecular Formula: | C24 H25 Cl N2 O3 |
| Smiles: | CC12CC(\C(=C(/C=C/c3ccc(cc3)N(C)C)O)C(N1C)=O)c1cc(ccc1O2)[Cl] |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.638 |
| logD: | 4.638 |
| logSw: | -4.8878 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 41.312 |
| InChI Key: | OFIGCMJCPIQAFB-UHFFFAOYSA-N |