ethyl 4-{[benzyl({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[benzyl({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamothioyl]amino}benzoate
ethyl 4-{[benzyl({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | K788-5649 |
| Compound Name: | ethyl 4-{[benzyl({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)carbamothioyl]amino}benzoate |
| Molecular Weight: | 518.08 |
| Molecular Formula: | C29 H28 Cl N3 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N(Cc1ccccc1)Cc1cccn1Cc1ccc(cc1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 7.1213 |
| logD: | 7.1213 |
| logSw: | -6.3495 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 33.252 |
| InChI Key: | FQLFHRSIXBXCPT-UHFFFAOYSA-N |