N'-(3-chloro-4-methoxyphenyl)-N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptylthiourea
Chemical Structure Depiction of
N'-(3-chloro-4-methoxyphenyl)-N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptylthiourea
N'-(3-chloro-4-methoxyphenyl)-N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptylthiourea
Compound characteristics
Compound ID: | K788-3821 |
Compound Name: | N'-(3-chloro-4-methoxyphenyl)-N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptylthiourea |
Molecular Weight: | 516.53 |
Molecular Formula: | C27 H31 Cl2 N3 O S |
Smiles: | COc1ccc(cc1[Cl])NC(N(Cc1ccc(Cc2ccccc2[Cl])[nH]1)C1CCCCCC1)=S |
Stereo: | ACHIRAL |
logP: | 8.095 |
logD: | 8.095 |
logSw: | -6.5831 |
Hydrogen bond acceptors count: | 3 |
Hydrogen bond donors count: | 2 |
Polar surface area: | 27.9871 |
InChI Key: | MNZHVIHEBXNZOP-UHFFFAOYSA-N |