ethyl 3-[(4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]benzoate
Chemical Structure Depiction of
ethyl 3-[(4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]benzoate
ethyl 3-[(4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]benzoate
Compound characteristics
| Compound ID: | C548-3474 |
| Compound Name: | ethyl 3-[(4-{[(2,1,3-benzothiadiazole-4-sulfonyl)amino]methyl}cyclohexane-1-carbonyl)amino]benzoate |
| Molecular Weight: | 502.61 |
| Molecular Formula: | C23 H26 N4 O5 S2 |
| Smiles: | CCOC(c1cccc(c1)NC(C1CCC(CC1)CNS(c1cccc2c1nsn2)(=O)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6561 |
| logD: | 4.6545 |
| logSw: | -4.3993 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 106.986 |
| InChI Key: | GRMCDQAAFCNNDZ-UHFFFAOYSA-N |