N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D691-0098 |
| Compound Name: | N-(3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-[(9H-purin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 370.45 |
| Molecular Formula: | C16 H14 N6 O S2 |
| Smiles: | C1CCc2c(C1)c(C#N)c(NC(CSc1c3c(ncn1)[nH]cn3)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.0764 |
| logD: | 0.9712 |
| logSw: | -2.4817 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.455 |
| InChI Key: | ASEHUNFFBUOKSM-UHFFFAOYSA-N |