N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-imino-2H-naphtho[1,2-b]pyran-3-carboxamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-imino-2H-naphtho[1,2-b]pyran-3-carboxamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-imino-2H-naphtho[1,2-b]pyran-3-carboxamide
Compound characteristics
| Compound ID: | Y205-0987 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-imino-2H-naphtho[1,2-b]pyran-3-carboxamide |
| Molecular Weight: | 399.47 |
| Molecular Formula: | C23 H17 N3 O2 S |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(C1=Cc3ccc4ccccc4c3OC1=N)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.6482 |
| logD: | 1.4543 |
| logSw: | -5.459 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 64.751 |
| InChI Key: | PFBAZPABNGKQHO-UHFFFAOYSA-N |