4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoic acid--N-cyclohexylcyclohexanamine (1/1)
Chemical Structure Depiction of
4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoic acid--N-cyclohexylcyclohexanamine (1/1)
4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoic acid--N-cyclohexylcyclohexanamine (1/1)
Compound characteristics
| Compound ID: | 8008-5041 |
| Compound Name: | 4-{[(1,3-benzothiazol-2-yl)sulfanyl]methyl}benzoic acid--N-cyclohexylcyclohexanamine (1/1) |
| Molecular Weight: | 482.7 |
| Molecular Formula: | C15 H11 N O2 S2 |
| Salt: | (C6H11)2NH |
| Smiles: | C(c1ccc(cc1)C(O)=O)Sc1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.372 |
| logD: | 1.4005 |
| logSw: | -4.4211 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 37.457 |
| InChI Key: | XAZGUJUGDDLSEK-UHFFFAOYSA-N |