butyl 3-{[(3,4,5-trimethoxybenzoyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
butyl 3-{[(3,4,5-trimethoxybenzoyl)carbamothioyl]amino}benzoate
butyl 3-{[(3,4,5-trimethoxybenzoyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | 1988-0910 |
| Compound Name: | butyl 3-{[(3,4,5-trimethoxybenzoyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 446.52 |
| Molecular Formula: | C22 H26 N2 O6 S |
| Smiles: | CCCCOC(c1cccc(c1)NC(NC(c1cc(c(c(c1)OC)OC)OC)=O)=S)=O |
| Stereo: | ACHIRAL |
| logP: | 4.9506 |
| logD: | 4.9506 |
| logSw: | -4.7164 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 77.265 |
| InChI Key: | JOEATBKKSNKBFF-UHFFFAOYSA-N |