N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(3-methoxyphenyl)urea
Chemical Structure Depiction of
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(3-methoxyphenyl)urea
N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(3-methoxyphenyl)urea
Compound characteristics
| Compound ID: | E002-0309 |
| Compound Name: | N-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-N'-(3-methoxyphenyl)urea |
| Molecular Weight: | 347.44 |
| Molecular Formula: | C16 H21 N5 O2 S |
| Smiles: | COc1cccc(c1)NC(Nc1nnc(N2CCCCCC2)s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.3514 |
| logD: | 4.3513 |
| logSw: | -4.248 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 67.229 |
| InChI Key: | XHMOEDOLOVTFNS-UHFFFAOYSA-N |