5-chloro-2-(ethylsulfanyl)-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-2-(ethylsulfanyl)-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrimidine-4-carboxamide
5-chloro-2-(ethylsulfanyl)-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0280 |
| Compound Name: | 5-chloro-2-(ethylsulfanyl)-N-(3-{[(furan-2-yl)methyl]carbamoyl}-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)pyrimidine-4-carboxamide |
| Molecular Weight: | 477 |
| Molecular Formula: | C21 H21 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC)[Cl])=O)c1c(C(NCc2ccco2)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.0486 |
| logD: | 1.992 |
| logSw: | -5.4095 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.792 |
| InChI Key: | KQOJJBNHRUUZFP-UHFFFAOYSA-N |