5-chloro-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide
5-chloro-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D054-0486 |
| Compound Name: | 5-chloro-N-{3-[(3-methoxypropyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-2-(propylsulfanyl)pyrimidine-4-carboxamide |
| Molecular Weight: | 483.05 |
| Molecular Formula: | C21 H27 Cl N4 O3 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCCC)[Cl])=O)c1c(C(NCCCOC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.3236 |
| logD: | 1.0096 |
| logSw: | -4.6724 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.499 |
| InChI Key: | SWEQGMURHYMPPO-UHFFFAOYSA-N |