N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine
Chemical Structure Depiction of
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine
N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine
Compound characteristics
| Compound ID: | E958-1454 |
| Compound Name: | N-({1-[5-(azepan-1-yl)-1,3,4-thiadiazol-2-yl]-1H-pyrrol-2-yl}methyl)-2-(3,4-dimethoxyphenyl)ethan-1-amine |
| Molecular Weight: | 441.59 |
| Molecular Formula: | C23 H31 N5 O2 S |
| Smiles: | COc1ccc(CCNCc2cccn2c2nnc(N3CCCCCC3)s2)cc1OC |
| Stereo: | ACHIRAL |
| logP: | 3.617 |
| logD: | 3.514 |
| logSw: | -3.7573 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.553 |
| InChI Key: | NBJDDIKCPBWKMM-UHFFFAOYSA-N |