methyl 4-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Chemical Structure Depiction of
methyl 4-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
methyl 4-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate
Compound characteristics
| Compound ID: | 8009-7528 |
| Compound Name: | methyl 4-(5-{[2-(tert-butylamino)-2-oxoethyl]sulfanyl}-1H-tetrazol-1-yl)benzoate |
| Molecular Weight: | 349.41 |
| Molecular Formula: | C15 H19 N5 O3 S |
| Smiles: | CC(C)(C)NC(CSc1nnnn1c1ccc(cc1)C(=O)OC)=O |
| Stereo: | ACHIRAL |
| logP: | 2.3964 |
| logD: | 2.3963 |
| logSw: | -2.6716 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 84.63 |
| InChI Key: | AZKCEKJFZWVDOI-UHFFFAOYSA-N |