N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-1-benzopyran-3-yl}-2,1,3-benzothiadiazole-4-sulfonamide
Chemical Structure Depiction of
N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-1-benzopyran-3-yl}-2,1,3-benzothiadiazole-4-sulfonamide
N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-1-benzopyran-3-yl}-2,1,3-benzothiadiazole-4-sulfonamide
Compound characteristics
| Compound ID: | C301-9587 |
| Compound Name: | N-{4-[(cyclohexylmethyl)amino]-2-oxo-2H-1-benzopyran-3-yl}-2,1,3-benzothiadiazole-4-sulfonamide |
| Molecular Weight: | 470.57 |
| Molecular Formula: | C22 H22 N4 O4 S2 |
| Smiles: | C1CCC(CC1)CNC1=C(C(=O)Oc2ccccc12)NS(c1cccc2c1nsn2)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.046 |
| logD: | -0.5488 |
| logSw: | -4.4438 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 93.587 |
| InChI Key: | ZWSPXNKJMAEWPU-UHFFFAOYSA-N |