ethyl 2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
ethyl 2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Compound characteristics
| Compound ID: | D691-0100 |
| Compound Name: | ethyl 2-{2-[(9H-purin-6-yl)sulfanyl]acetamido}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate |
| Molecular Weight: | 431.53 |
| Molecular Formula: | C19 H21 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCCCc2sc1NC(CSc1c2c(ncn1)[nH]cn2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.0347 |
| logD: | 0.9315 |
| logSw: | -3.2425 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 86.484 |
| InChI Key: | RSHSBJOQVLVCSI-UHFFFAOYSA-N |