5-chloro-N-{3-[(3-ethoxypropyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{3-[(3-ethoxypropyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-2-(ethylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-{3-[(3-ethoxypropyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0304 |
| Compound Name: | 5-chloro-N-{3-[(3-ethoxypropyl)carbamoyl]-5,6-dihydro-4H-cyclopenta[b]thiophen-2-yl}-2-(ethylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 469.02 |
| Molecular Formula: | C20 H25 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1c(C(NCCCOCC)=O)c2CCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.8837 |
| logD: | 0.5492 |
| logSw: | -4.4721 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.5 |
| InChI Key: | BQFXMBBRUUHTSM-UHFFFAOYSA-N |