N-({[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene)thiophene-2-carboxamide
Chemical Structure Depiction of
N-({[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene)thiophene-2-carboxamide
N-({[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene)thiophene-2-carboxamide
Compound characteristics
| Compound ID: | 8341-0084 |
| Compound Name: | N-({[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene)thiophene-2-carboxamide |
| Molecular Weight: | 452.96 |
| Molecular Formula: | C22 H21 Cl N6 O S |
| Smiles: | Cc1cc(C)nc(NC(/NCCc2c[nH]c3ccc(cc23)[Cl])=N/C(c2cccs2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 4.1605 |
| logD: | 2.7501 |
| logSw: | -4.4401 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 71.9 |
| InChI Key: | KRZQRRNUAUIDBF-UHFFFAOYSA-N |