methyl 2-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | F996-0091 |
| Compound Name: | methyl 2-{[5-(1,3-benzoxazol-2-yl)-2-methoxyphenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 477.54 |
| Molecular Formula: | C25 H23 N3 O5 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(Nc1cc(ccc1OC)c1nc2ccccc2o1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.6566 |
| logD: | 5.0174 |
| logSw: | -5.5357 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.173 |
| InChI Key: | ITQZUNOHJIHYPV-UHFFFAOYSA-N |