methyl 4-[5-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-tetrazol-1-yl]benzoate
Chemical Structure Depiction of
methyl 4-[5-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-tetrazol-1-yl]benzoate
methyl 4-[5-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-tetrazol-1-yl]benzoate
Compound characteristics
| Compound ID: | 8012-3311 |
| Compound Name: | methyl 4-[5-({[4-amino-6-(morpholin-4-yl)-1,3,5-triazin-2-yl]methyl}sulfanyl)-1H-tetrazol-1-yl]benzoate |
| Molecular Weight: | 429.46 |
| Molecular Formula: | C17 H19 N9 O3 S |
| Smiles: | COC(c1ccc(cc1)n1c(nnn1)SCc1nc(N)nc(n1)N1CCOCC1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.0039 |
| logD: | 2.0036 |
| logSw: | -2.3706 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 122.674 |
| InChI Key: | KHHHQIUOISQEBU-UHFFFAOYSA-N |