N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(9H-purin-6-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | D691-0097 |
| Compound Name: | N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-2-[(9H-purin-6-yl)sulfanyl]acetamide |
| Molecular Weight: | 384.48 |
| Molecular Formula: | C17 H16 N6 O S2 |
| Smiles: | C1CCc2c(C#N)c(NC(CSc3c4c(ncn3)[nH]cn4)=O)sc2CC1 |
| Stereo: | ACHIRAL |
| logP: | 2.5723 |
| logD: | 1.4672 |
| logSw: | -2.6926 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.786 |
| InChI Key: | PBDXROZQAWZVHH-UHFFFAOYSA-N |