methyl 3-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl}-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl}-5-nitrobenzoate
methyl 3-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl}-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-1611 |
| Compound Name: | methyl 3-{[4-(2-ethoxy-2-oxoethyl)-1,3-thiazol-2-yl]carbamoyl}-5-nitrobenzoate |
| Molecular Weight: | 393.37 |
| Molecular Formula: | C16 H15 N3 O7 S |
| Smiles: | CCOC(Cc1csc(NC(c2cc(cc(c2)[N+]([O-])=O)C(=O)OC)=O)n1)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0419 |
| logD: | 2.1948 |
| logSw: | -3.4742 |
| Hydrogen bond acceptors count: | 13 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 108.585 |
| InChI Key: | RRSYEOCSLDXZDP-UHFFFAOYSA-N |