5-chloro-N-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]thiophene-2-carboxamide
Chemical Structure Depiction of
5-chloro-N-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]thiophene-2-carboxamide
5-chloro-N-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]thiophene-2-carboxamide
Compound characteristics
| Compound ID: | P814-4235 |
| Compound Name: | 5-chloro-N-[2-(8-oxo-7,8-dihydro-9H-purin-9-yl)ethyl]thiophene-2-carboxamide |
| Molecular Weight: | 323.76 |
| Molecular Formula: | C12 H10 Cl N5 O2 S |
| Smiles: | C(CN1C(Nc2cncnc12)=O)NC(c1ccc(s1)[Cl])=O |
| Stereo: | ACHIRAL |
| logP: | 1.5625 |
| logD: | 1.5624 |
| logSw: | -2.5066 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.148 |
| InChI Key: | JYLPJDPSIFZZNS-UHFFFAOYSA-N |