N-{3-[butyl(methyl)amino]propyl}-N'-(3-chloro-4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-{3-[butyl(methyl)amino]propyl}-N'-(3-chloro-4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea
N-{3-[butyl(methyl)amino]propyl}-N'-(3-chloro-4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-1087 |
| Compound Name: | N-{3-[butyl(methyl)amino]propyl}-N'-(3-chloro-4-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea |
| Molecular Weight: | 440.07 |
| Molecular Formula: | C21 H30 Cl N3 O S2 |
| Smiles: | CCCCN(C)CCCN(Cc1cccs1)C(Nc1ccc(c(c1)[Cl])OC)=S |
| Stereo: | ACHIRAL |
| logP: | 5.5657 |
| logD: | 3.5602 |
| logSw: | -5.9646 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.3992 |
| InChI Key: | QXDXRARZNSESPB-UHFFFAOYSA-N |