N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-oxonaphthalen-1(4H)-ylidene}-2,5-dimethylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-oxonaphthalen-1(4H)-ylidene}-2,5-dimethylbenzene-1-sulfonamide
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-oxonaphthalen-1(4H)-ylidene}-2,5-dimethylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | 5591-3598 |
| Compound Name: | N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-oxonaphthalen-1(4H)-ylidene}-2,5-dimethylbenzene-1-sulfonamide |
| Molecular Weight: | 490.62 |
| Molecular Formula: | C25 H18 N2 O3 S3 |
| Smiles: | Cc1ccc(C)c(c1)S(/N=C1/C=C(C(c2ccccc12)=O)Sc1nc2ccccc2s1)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.5432 |
| logD: | 6.5432 |
| logSw: | -5.7193 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.066 |
| InChI Key: | ZBQUIGBIWZBWBZ-UHFFFAOYSA-N |