methyl 2-{[4-(1H-indol-2-yl)phenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[4-(1H-indol-2-yl)phenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[4-(1H-indol-2-yl)phenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L317-0090 |
| Compound Name: | methyl 2-{[4-(1H-indol-2-yl)phenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 445.54 |
| Molecular Formula: | C25 H23 N3 O3 S |
| Smiles: | [H]c1ccc2c(c1)cc(c1ccc(cc1)NC(Nc1c(C(=O)OC)c3CCCCc3s1)=O)[nH]2 |
| Stereo: | ACHIRAL |
| logP: | 6.5743 |
| logD: | 5.3337 |
| logSw: | -6.4845 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.508 |
| InChI Key: | CHOGVUMBBQRADC-UHFFFAOYSA-N |