N-({[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene)-2-[(pyrimidin-2-yl)sulfanyl]acetamide
Chemical Structure Depiction of
N-({[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene)-2-[(pyrimidin-2-yl)sulfanyl]acetamide
N-({[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene)-2-[(pyrimidin-2-yl)sulfanyl]acetamide
Compound characteristics
| Compound ID: | Y021-1947 |
| Compound Name: | N-({[2-(5-chloro-1H-indol-3-yl)ethyl]amino}[(4,6-dimethylpyrimidin-2-yl)amino]methylidene)-2-[(pyrimidin-2-yl)sulfanyl]acetamide |
| Molecular Weight: | 495 |
| Molecular Formula: | C23 H23 Cl N8 O S |
| Smiles: | Cc1cc(C)nc(NC(/NCCc2c[nH]c3ccc(cc23)[Cl])=N/C(CSc2ncccn2)=O)n1 |
| Stereo: | ACHIRAL |
| logP: | 3.016 |
| logD: | 2.5182 |
| logSw: | -3.4947 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 88.826 |
| InChI Key: | NDKHYNGWLSRKQZ-UHFFFAOYSA-N |