4-methyl-N-{3-oxo-3-[2-(6'-phenyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g][1]benzopyran]-8'-ylidene)hydrazinyl]propyl}benzene-1-sulfonamide
Chemical Structure Depiction of
4-methyl-N-{3-oxo-3-[2-(6'-phenyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g][1]benzopyran]-8'-ylidene)hydrazinyl]propyl}benzene-1-sulfonamide
4-methyl-N-{3-oxo-3-[2-(6'-phenyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g][1]benzopyran]-8'-ylidene)hydrazinyl]propyl}benzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y041-3676 |
| Compound Name: | 4-methyl-N-{3-oxo-3-[2-(6'-phenyl-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g][1]benzopyran]-8'-ylidene)hydrazinyl]propyl}benzene-1-sulfonamide |
| Molecular Weight: | 585.72 |
| Molecular Formula: | C33 H35 N3 O5 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(N/N=C1\C=C(c2ccccc2)c2cc3CCC4(CCCCC4)Oc3cc2O1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.7497 |
| logD: | 6.7484 |
| logSw: | -5.5814 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.333 |
| InChI Key: | AQPUMQNHSVOAOU-UHFFFAOYSA-N |