3,4-dimethyl-6-{[3-methyl-4-(1H-tetrazol-1-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Chemical Structure Depiction of
3,4-dimethyl-6-{[3-methyl-4-(1H-tetrazol-1-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
3,4-dimethyl-6-{[3-methyl-4-(1H-tetrazol-1-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid
Compound characteristics
| Compound ID: | D047-0117 |
| Compound Name: | 3,4-dimethyl-6-{[3-methyl-4-(1H-tetrazol-1-yl)phenyl]carbamoyl}cyclohex-3-ene-1-carboxylic acid |
| Molecular Weight: | 355.39 |
| Molecular Formula: | C18 H21 N5 O3 |
| Smiles: | CC1CC(C(CC=1C)C(Nc1ccc(c(C)c1)n1cnnn1)=O)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.2745 |
| logD: | -0.0813 |
| logSw: | -2.8811 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.394 |
| InChI Key: | MIFJNPHKAKCNSD-UHFFFAOYSA-N |