N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptyl-N'-(2-methoxyphenyl)thiourea
Chemical Structure Depiction of
N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptyl-N'-(2-methoxyphenyl)thiourea
N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptyl-N'-(2-methoxyphenyl)thiourea
Compound characteristics
| Compound ID: | K788-3816 |
| Compound Name: | N-({5-[(2-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N-cycloheptyl-N'-(2-methoxyphenyl)thiourea |
| Molecular Weight: | 482.09 |
| Molecular Formula: | C27 H32 Cl N3 O S |
| Smiles: | COc1ccccc1NC(N(Cc1ccc(Cc2ccccc2[Cl])[nH]1)C1CCCCCC1)=S |
| Stereo: | ACHIRAL |
| logP: | 7.6811 |
| logD: | 7.6811 |
| logSw: | -6.5644 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 27.2893 |
| InChI Key: | RYRDXQFHDPXCQM-UHFFFAOYSA-N |