ethyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate
Chemical Structure Depiction of
ethyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate
ethyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate
Compound characteristics
| Compound ID: | 2425-4379 |
| Compound Name: | ethyl 4-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)amino]-4-oxobut-2-enoate |
| Molecular Weight: | 322.38 |
| Molecular Formula: | C15 H18 N2 O4 S |
| Smiles: | CCOC(/C=C/C(Nc1c(C(N)=O)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.4331 |
| logD: | -0.135 |
| logSw: | -2.0677 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 77.32 |
| InChI Key: | LENCPSRBOOTWPH-UHFFFAOYSA-N |