N~1~-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~2~-[(pyridin-3-yl)methyl]ethanediamide
Chemical Structure Depiction of
N~1~-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~2~-[(pyridin-3-yl)methyl]ethanediamide
N~1~-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~2~-[(pyridin-3-yl)methyl]ethanediamide
Compound characteristics
| Compound ID: | 8020-0498 |
| Compound Name: | N~1~-(3-carbamoyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-N~2~-[(pyridin-3-yl)methyl]ethanediamide |
| Molecular Weight: | 358.42 |
| Molecular Formula: | C17 H18 N4 O3 S |
| Smiles: | C1CCc2c(C1)c(C(N)=O)c(NC(C(NCc1cccnc1)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | -0.0695 |
| logD: | -4.439 |
| logSw: | -1.6023 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.306 |
| InChI Key: | POVOQEXSUAVADV-UHFFFAOYSA-N |