N-(3-{[(8,8-dimethyl-2,3,9,10-tetrahydro-8H-cyclopenta[d]benzo[1,2-b:5,4-b']dipyran-4(1H)-ylidene)amino]oxy}-3-oxopropyl)-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-(3-{[(8,8-dimethyl-2,3,9,10-tetrahydro-8H-cyclopenta[d]benzo[1,2-b:5,4-b']dipyran-4(1H)-ylidene)amino]oxy}-3-oxopropyl)-4-methylbenzene-1-sulfonamide
N-(3-{[(8,8-dimethyl-2,3,9,10-tetrahydro-8H-cyclopenta[d]benzo[1,2-b:5,4-b']dipyran-4(1H)-ylidene)amino]oxy}-3-oxopropyl)-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | Y043-7936 |
| Compound Name: | N-(3-{[(8,8-dimethyl-2,3,9,10-tetrahydro-8H-cyclopenta[d]benzo[1,2-b:5,4-b']dipyran-4(1H)-ylidene)amino]oxy}-3-oxopropyl)-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 510.61 |
| Molecular Formula: | C27 H30 N2 O6 S |
| Smiles: | Cc1ccc(cc1)S(NCCC(=O)O/N=C1\C2CCCC=2c2cc3CCC(C)(C)Oc3cc2O1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9502 |
| logD: | 4.9502 |
| logSw: | -4.548 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.693 |
| InChI Key: | VXSWIODFAIARNA-UHFFFAOYSA-N |