methyl 4-{[1-(1H-tetrazol-1-yl)cyclohexane-1-carbonyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[1-(1H-tetrazol-1-yl)cyclohexane-1-carbonyl]amino}benzoate
methyl 4-{[1-(1H-tetrazol-1-yl)cyclohexane-1-carbonyl]amino}benzoate
Compound characteristics
| Compound ID: | Y043-0330 |
| Compound Name: | methyl 4-{[1-(1H-tetrazol-1-yl)cyclohexane-1-carbonyl]amino}benzoate |
| Molecular Weight: | 329.36 |
| Molecular Formula: | C16 H19 N5 O3 |
| Smiles: | COC(c1ccc(cc1)NC(C1(CCCCC1)n1cnnn1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7836 |
| logD: | 2.7829 |
| logSw: | -3.4307 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.085 |
| InChI Key: | JSNPNQQPZMWWGK-UHFFFAOYSA-N |