ethyl 4-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl){3-[cyclohexyl(methyl)amino]propyl}carbamothioyl]amino}benzoate
Chemical Structure Depiction of
ethyl 4-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl){3-[cyclohexyl(methyl)amino]propyl}carbamothioyl]amino}benzoate
ethyl 4-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl){3-[cyclohexyl(methyl)amino]propyl}carbamothioyl]amino}benzoate
Compound characteristics
| Compound ID: | K788-6146 |
| Compound Name: | ethyl 4-{[({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl){3-[cyclohexyl(methyl)amino]propyl}carbamothioyl]amino}benzoate |
| Molecular Weight: | 581.22 |
| Molecular Formula: | C32 H41 Cl N4 O2 S |
| Smiles: | CCOC(c1ccc(cc1)NC(N(CCCN(C)C1CCCCC1)Cc1cccn1Cc1ccc(cc1)[Cl])=S)=O |
| Stereo: | ACHIRAL |
| logP: | 7.4734 |
| logD: | 5.4822 |
| logSw: | -6.43 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 36.268 |
| InChI Key: | KVWHHUBZHFBJEF-UHFFFAOYSA-N |