N-(3-{2-[6'-(4-methoxyphenyl)-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g][1]benzopyran]-8'-ylidene]hydrazinyl}-3-oxopropyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3-{2-[6'-(4-methoxyphenyl)-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g][1]benzopyran]-8'-ylidene]hydrazinyl}-3-oxopropyl)-4-methylbenzene-1-sulfonamide
N-(3-{2-[6'-(4-methoxyphenyl)-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g][1]benzopyran]-8'-ylidene]hydrazinyl}-3-oxopropyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y041-3588 |
| Compound Name: | N-(3-{2-[6'-(4-methoxyphenyl)-3',4'-dihydro-8'H-spiro[cyclohexane-1,2'-pyrano[3,2-g][1]benzopyran]-8'-ylidene]hydrazinyl}-3-oxopropyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 615.75 |
| Molecular Formula: | C34 H37 N3 O6 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(N/N=C1\C=C(c2ccc(cc2)OC)c2cc3CCC4(CCCCC4)Oc3cc2O1)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.8371 |
| logD: | 6.8358 |
| logSw: | -5.5345 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 97.877 |
| InChI Key: | YDMCXHIGVKUPLJ-UHFFFAOYSA-N |