methyl 2-{[4-(5-chloro-1H-indol-2-yl)phenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[4-(5-chloro-1H-indol-2-yl)phenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[4-(5-chloro-1H-indol-2-yl)phenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L317-0188 |
| Compound Name: | methyl 2-{[4-(5-chloro-1H-indol-2-yl)phenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 479.98 |
| Molecular Formula: | C25 H22 Cl N3 O3 S |
| Smiles: | COC(c1c2CCCCc2sc1NC(Nc1ccc(cc1)c1cc2cc(ccc2[nH]1)[Cl])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1442 |
| logD: | 5.9036 |
| logSw: | -6.5525 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 62.508 |
| InChI Key: | VXWZLMAAFREHAZ-UHFFFAOYSA-N |