3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Chemical Structure Depiction of
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate
Compound characteristics
| Compound ID: | Y040-8001 |
| Compound Name: | 3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-methyl-4-oxo-4H-1-benzopyran-7-yl 6-[(4-methylbenzene-1-sulfonyl)amino]hexanoate |
| Molecular Weight: | 591.68 |
| Molecular Formula: | C32 H33 N O8 S |
| Smiles: | CC1=C(C(c2ccc(cc2O1)OC(CCCCCNS(c1ccc(C)cc1)(=O)=O)=O)=O)c1ccc2c(c1)OCCCO2 |
| Stereo: | ACHIRAL |
| logP: | 4.9911 |
| logD: | 4.9911 |
| logSw: | -4.4787 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 98.134 |
| InChI Key: | NUHUKGGJYFGRRF-UHFFFAOYSA-N |