ethyl 3-[(2-{5-[(propan-2-yl)carbamoyl]-1H-benzotriazol-1-yl}ethyl)carbamamido]benzoate
Chemical Structure Depiction of
ethyl 3-[(2-{5-[(propan-2-yl)carbamoyl]-1H-benzotriazol-1-yl}ethyl)carbamamido]benzoate
ethyl 3-[(2-{5-[(propan-2-yl)carbamoyl]-1H-benzotriazol-1-yl}ethyl)carbamamido]benzoate
Compound characteristics
| Compound ID: | L693-0437 |
| Compound Name: | ethyl 3-[(2-{5-[(propan-2-yl)carbamoyl]-1H-benzotriazol-1-yl}ethyl)carbamamido]benzoate |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C22 H26 N6 O4 |
| Smiles: | CCOC(c1cccc(c1)NC(NCCn1c2ccc(cc2nn1)C(NC(C)C)=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.7642 |
| logD: | 2.7642 |
| logSw: | -3.1962 |
| Hydrogen bond acceptors count: | 9 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 103.794 |
| InChI Key: | GKGZTSOHPIPMMJ-UHFFFAOYSA-N |