N-{3-[(2-phenylethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2,3-thiadiazole-4-carboxamide
Chemical Structure Depiction of
N-{3-[(2-phenylethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2,3-thiadiazole-4-carboxamide
N-{3-[(2-phenylethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2,3-thiadiazole-4-carboxamide
Compound characteristics
| Compound ID: | D319-0099 |
| Compound Name: | N-{3-[(2-phenylethyl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1,2,3-thiadiazole-4-carboxamide |
| Molecular Weight: | 412.53 |
| Molecular Formula: | C20 H20 N4 O2 S2 |
| Smiles: | [H]N(C(c1csnn1)=O)c1c(C(NCCc2ccccc2)=O)c2CCCCc2s1 |
| Stereo: | ACHIRAL |
| logP: | 3.2906 |
| logD: | 1.2763 |
| logSw: | -3.7022 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.905 |
| InChI Key: | QKFNRMYSABZAPR-UHFFFAOYSA-N |