N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxamide
Compound characteristics
| Compound ID: | 1130-0385 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-oxo-8-(prop-2-en-1-yl)-2H-1-benzopyran-3-carboxamide |
| Molecular Weight: | 390.46 |
| Molecular Formula: | C22 H18 N2 O3 S |
| Smiles: | C=CCc1cccc2C=C(C(Nc3c(C#N)c4CCCCc4s3)=O)C(=O)Oc12 |
| Stereo: | ACHIRAL |
| logP: | 4.648 |
| logD: | 0.7355 |
| logSw: | -4.7973 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.707 |
| InChI Key: | LEVLCKGCJBYEMN-UHFFFAOYSA-N |