N-[3-(azepan-1-yl)propyl]-N'-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Chemical Structure Depiction of
N-[3-(azepan-1-yl)propyl]-N'-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea
N-[3-(azepan-1-yl)propyl]-N'-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea
Compound characteristics
| Compound ID: | C087-0262 |
| Compound Name: | N-[3-(azepan-1-yl)propyl]-N'-(3-methoxyphenyl)-N-[(thiophen-2-yl)methyl]thiourea |
| Molecular Weight: | 417.63 |
| Molecular Formula: | C22 H31 N3 O S2 |
| Smiles: | COc1cccc(c1)NC(N(CCCN1CCCCCC1)Cc1cccs1)=S |
| Stereo: | ACHIRAL |
| logP: | 5.2255 |
| logD: | 3.1887 |
| logSw: | -5.0225 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 23.282 |
| InChI Key: | PUSRIZDGHQHIQW-UHFFFAOYSA-N |