diethyl ({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}methylidene)propanedioate
Chemical Structure Depiction of
diethyl ({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}methylidene)propanedioate
diethyl ({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}methylidene)propanedioate
Compound characteristics
| Compound ID: | K780-1014 |
| Compound Name: | diethyl ({[3-(methoxycarbonyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]amino}methylidene)propanedioate |
| Molecular Weight: | 381.45 |
| Molecular Formula: | C18 H23 N O6 S |
| Smiles: | CCOC(C(=CNc1c(C(=O)OC)c2CCCCc2s1)C(=O)OCC)=O |
| Stereo: | ACHIRAL |
| logP: | 3.4854 |
| logD: | -3.8186 |
| logSw: | -3.8925 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 74.235 |
| InChI Key: | CXPKYNWBEFTUDY-UHFFFAOYSA-N |