5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Chemical Structure Depiction of
5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide
Compound characteristics
| Compound ID: | D233-0617 |
| Compound Name: | 5-chloro-N-[3-(ethylcarbamoyl)-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-2-[(prop-2-en-1-yl)sulfanyl]pyrimidine-4-carboxamide |
| Molecular Weight: | 436.98 |
| Molecular Formula: | C19 H21 Cl N4 O2 S2 |
| Smiles: | [H]N(C(c1c(cnc(n1)SCC=C)[Cl])=O)c1c(C(NCC)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 4.1963 |
| logD: | 0.8824 |
| logSw: | -4.6472 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.941 |
| InChI Key: | PKAIWLDENCKAGV-UHFFFAOYSA-N |