N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-methoxyphenyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea
Chemical Structure Depiction of
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-methoxyphenyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea
N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-methoxyphenyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea
Compound characteristics
| Compound ID: | K788-6435 |
| Compound Name: | N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3-methoxyphenyl)-N-[3-(pyrrolidin-1-yl)propyl]thiourea |
| Molecular Weight: | 497.1 |
| Molecular Formula: | C27 H33 Cl N4 O S |
| Smiles: | COc1cccc(c1)NC(N(CCCN1CCCC1)Cc1cccn1Cc1ccc(cc1)[Cl])=S |
| Stereo: | ACHIRAL |
| logP: | 5.827 |
| logD: | 3.3302 |
| logSw: | -6.0801 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 24.369 |
| InChI Key: | JKUNUPFGZSGECC-UHFFFAOYSA-N |