2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Chemical Structure Depiction of
2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
Compound characteristics
| Compound ID: | D467-0059 |
| Compound Name: | 2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide |
| Molecular Weight: | 418.54 |
| Molecular Formula: | C19 H22 N4 O3 S2 |
| Smiles: | C1CCC2=C(C1)C(NC(=N2)SCC(Nc1c(C(N)=O)c2CCCCc2s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1042 |
| logD: | 0.889 |
| logSw: | -1.8113 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 91.395 |
| InChI Key: | RXSVBENRVOKYOZ-UHFFFAOYSA-N |