methyl 6-methyl-2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 6-methyl-2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 6-methyl-2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | D467-0058 |
| Compound Name: | methyl 6-methyl-2-{2-[(4-oxo-3,4,5,6,7,8-hexahydroquinazolin-2-yl)sulfanyl]acetamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 447.57 |
| Molecular Formula: | C21 H25 N3 O4 S2 |
| Smiles: | CC1CCc2c(C(=O)OC)c(NC(CSC3NC(C4CCCCC=4N=3)=O)=O)sc2C1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 3.3011 |
| logD: | 1.4703 |
| logSw: | -3.7729 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 78.51 |
| InChI Key: | HXRDSFKYJKIMPD-LLVKDONJSA-N |