2-[(2-aminoethyl)carbamamido]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
Chemical Structure Depiction of
2-[(2-aminoethyl)carbamamido]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
2-[(2-aminoethyl)carbamamido]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid
Compound characteristics
| Compound ID: | 8640-0070 |
| Compound Name: | 2-[(2-aminoethyl)carbamamido]-5,5-dimethyl-4,7-dihydro-5H-thieno[2,3-c]pyran-3-carboxylic acid |
| Molecular Weight: | 313.37 |
| Molecular Formula: | C13 H19 N3 O4 S |
| Smiles: | [H]N([H])CCN([H])C(N([H])c1c(C(=O)O[H])c2CC(C)(C)OCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7673 |
| logD: | 0.7673 |
| logSw: | -1.549 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 5 |
| Polar surface area: | 90.952 |
| InChI Key: | SHMREONEKAGHBK-UHFFFAOYSA-N |