N-{3-[bis(2-methylpropyl)amino]propyl}-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)thiourea
Chemical Structure Depiction of
N-{3-[bis(2-methylpropyl)amino]propyl}-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)thiourea
N-{3-[bis(2-methylpropyl)amino]propyl}-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)thiourea
Compound characteristics
| Compound ID: | K788-6373 |
| Compound Name: | N-{3-[bis(2-methylpropyl)amino]propyl}-N-({1-[(4-chlorophenyl)methyl]-1H-pyrrol-2-yl}methyl)-N'-(3,5-difluorophenyl)thiourea |
| Molecular Weight: | 561.18 |
| Molecular Formula: | C30 H39 Cl F2 N4 S |
| Smiles: | CC(C)CN(CCCN(Cc1cccn1Cc1ccc(cc1)[Cl])C(Nc1cc(cc(c1)F)F)=S)CC(C)C |
| Stereo: | ACHIRAL |
| logP: | 8.2588 |
| logD: | 5.9984 |
| logSw: | -6.6834 |
| Hydrogen bond acceptors count: | 3 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 16.7099 |
| InChI Key: | MYIYEULOQRGWHS-UHFFFAOYSA-N |