N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-{3-[cyclohexyl(methyl)amino]propyl}-N'-(3-ethylphenyl)thiourea
Chemical Structure Depiction of
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-{3-[cyclohexyl(methyl)amino]propyl}-N'-(3-ethylphenyl)thiourea
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-{3-[cyclohexyl(methyl)amino]propyl}-N'-(3-ethylphenyl)thiourea
Compound characteristics
| Compound ID: | K788-6364 |
| Compound Name: | N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-{3-[cyclohexyl(methyl)amino]propyl}-N'-(3-ethylphenyl)thiourea |
| Molecular Weight: | 537.21 |
| Molecular Formula: | C31 H41 Cl N4 S |
| Smiles: | CCc1cccc(c1)NC(N(CCCN(C)C1CCCCC1)Cc1cccn1Cc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 7.6624 |
| logD: | 5.6713 |
| logSw: | -6.635 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 15.5143 |
| InChI Key: | KADIXQVTAQQOLB-UHFFFAOYSA-N |