5-chloro-2-(ethylsulfanyl)-N-{3-[(2-phenylethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethylsulfanyl)-N-{3-[(2-phenylethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}pyrimidine-4-carboxamide
5-chloro-2-(ethylsulfanyl)-N-{3-[(2-phenylethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0285 |
| Compound Name: | 5-chloro-2-(ethylsulfanyl)-N-{3-[(2-phenylethyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}pyrimidine-4-carboxamide |
| Molecular Weight: | 487.04 |
| Molecular Formula: | C23 H23 Cl N4 O2 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1c(C(NCCc2ccccc2)=O)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.8213 |
| logD: | 1.4867 |
| logSw: | -5.0506 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 66.251 |
| InChI Key: | PXQDKAFPCHTVBX-UHFFFAOYSA-N |