methyl 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropanoate
Chemical Structure Depiction of
methyl 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropanoate
methyl 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropanoate
Compound characteristics
| Compound ID: | C790-0173 |
| Compound Name: | methyl 3-[(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-3-oxopropanoate |
| Molecular Weight: | 278.33 |
| Molecular Formula: | C13 H14 N2 O3 S |
| Smiles: | COC(CC(Nc1c(C#N)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.7058 |
| logD: | 0.4257 |
| logSw: | -2.114 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.738 |
| InChI Key: | GCZKILREDITNPM-UHFFFAOYSA-N |