N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-oxocyclohexa-2,5-dien-1-ylidene}naphthalene-2-sulfonamide
Chemical Structure Depiction of
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-oxocyclohexa-2,5-dien-1-ylidene}naphthalene-2-sulfonamide
N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-oxocyclohexa-2,5-dien-1-ylidene}naphthalene-2-sulfonamide
Compound characteristics
| Compound ID: | 5591-2869 |
| Compound Name: | N-{3-[(1,3-benzothiazol-2-yl)sulfanyl]-4-oxocyclohexa-2,5-dien-1-ylidene}naphthalene-2-sulfonamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C23 H14 N2 O3 S3 |
| Smiles: | C1=CC(C(=CC\1=N/S(c1ccc2ccccc2c1)(=O)=O)Sc1nc2ccccc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0856 |
| logD: | 6.0856 |
| logSw: | -6.8425 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 61.903 |
| InChI Key: | IUEPDCWTIPMUNJ-UHFFFAOYSA-N |