3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Chemical Structure Depiction of
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Compound characteristics
| Compound ID: | Y040-8024 |
| Compound Name: | 3-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxo-2-(trifluoromethyl)-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate |
| Molecular Weight: | 631.62 |
| Molecular Formula: | C31 H28 F3 N O8 S |
| Smiles: | Cc1ccc(cc1)S(NCCCCCC(=O)Oc1ccc2C(C(=C(C(F)(F)F)Oc2c1)c1ccc2c(c1)OCCO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.1185 |
| logD: | 5.1185 |
| logSw: | -4.7259 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 97.755 |
| InChI Key: | MXWPDCXBDHMHGY-UHFFFAOYSA-N |