5-chloro-N-{3-[(3-ethoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{3-[(3-ethoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2-(ethylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-{3-[(3-ethoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2-(ethylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0461 |
| Compound Name: | 5-chloro-N-{3-[(3-ethoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2-(ethylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 483.05 |
| Molecular Formula: | C21 H27 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1c(C(NCCCOCC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.294 |
| logD: | 0.9801 |
| logSw: | -4.6427 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.134 |
| InChI Key: | YGABEGXOPPAUGQ-UHFFFAOYSA-N |