butyl 4-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
butyl 4-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}benzoate
butyl 4-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | Y501-0112 |
| Compound Name: | butyl 4-{[(1-benzyl-2,3-dimethyl-1H-indole-5-carbonyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 513.66 |
| Molecular Formula: | C30 H31 N3 O3 S |
| Smiles: | CCCCOC(c1ccc(cc1)NC(NC(c1ccc2c(c1)c(C)c(C)n2Cc1ccccc1)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 7.5553 |
| logD: | 7.5552 |
| logSw: | -5.6674 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 55.488 |
| InChI Key: | OXSOIYHCFSKIAI-UHFFFAOYSA-N |