2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-ethoxy-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-ethoxy-2H-1-benzopyran-3-carboxamide
2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-ethoxy-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 1711-1431 |
| Compound Name: | 2-[(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)imino]-8-ethoxy-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 411.48 |
| Molecular Formula: | C21 H21 N3 O4 S |
| Smiles: | CCOc1cccc2C=C(/C(=N/c3c(C(N)=O)c4CCCCc4s3)Oc12)C(N)=O |
| Stereo: | ACHIRAL |
| logP: | 1.786 |
| logD: | 1.786 |
| logSw: | -2.4438 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 90.672 |
| InChI Key: | HEFNEXBOSNXURX-UHFFFAOYSA-N |