methyl 4-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
methyl 4-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}benzoate
methyl 4-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | Y501-0117 |
| Compound Name: | methyl 4-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 471.58 |
| Molecular Formula: | C27 H25 N3 O3 S |
| Smiles: | Cc1c2cc(ccc2n(Cc2ccccc2)c1C)C(NC(Nc1ccc(cc1)C(=O)OC)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 6.0599 |
| logD: | 6.0599 |
| logSw: | -5.5401 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.614 |
| InChI Key: | ILANLFJFUOEVQR-UHFFFAOYSA-N |