5-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-tetrazol-1-yl]-2-chlorobenzoic acid
Chemical Structure Depiction of
5-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-tetrazol-1-yl]-2-chlorobenzoic acid
5-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-tetrazol-1-yl]-2-chlorobenzoic acid
Compound characteristics
| Compound ID: | 8016-8743 |
| Compound Name: | 5-[5-({[4-amino-6-(dimethylamino)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-tetrazol-1-yl]-2-chlorobenzoic acid |
| Molecular Weight: | 407.84 |
| Molecular Formula: | C14 H14 Cl N9 O2 S |
| Smiles: | CN(C)c1nc(CSc2nnnn2c2ccc(c(c2)C(O)=O)[Cl])nc(N)n1 |
| Stereo: | ACHIRAL |
| logP: | 2.1571 |
| logD: | -2.8785 |
| logSw: | -2.9318 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 121.352 |
| InChI Key: | ITKVDWOFAIQSNK-UHFFFAOYSA-N |