2-(1H-benzotriazol-1-yl)-3-[(propan-2-yl)amino]naphthalene-1,4-dione
Chemical Structure Depiction of
2-(1H-benzotriazol-1-yl)-3-[(propan-2-yl)amino]naphthalene-1,4-dione
2-(1H-benzotriazol-1-yl)-3-[(propan-2-yl)amino]naphthalene-1,4-dione
Compound characteristics
| Compound ID: | 8015-6857 |
| Compound Name: | 2-(1H-benzotriazol-1-yl)-3-[(propan-2-yl)amino]naphthalene-1,4-dione |
| Molecular Weight: | 332.36 |
| Molecular Formula: | C19 H16 N4 O2 |
| Smiles: | CC(C)NC1=C(C(c2ccccc2C1=O)=O)n1c2ccccc2nn1 |
| Stereo: | ACHIRAL |
| logP: | 2.8934 |
| logD: | 2.8775 |
| logSw: | -3.8089 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 61.612 |
| InChI Key: | YSRJKDDVHKKWHW-UHFFFAOYSA-N |