N-(3-{[(4-bromophenyl)methyl]amino}-3-oxopropyl)-1-propyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-(3-{[(4-bromophenyl)methyl]amino}-3-oxopropyl)-1-propyl-1H-benzotriazole-5-carboxamide
N-(3-{[(4-bromophenyl)methyl]amino}-3-oxopropyl)-1-propyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | G851-0693 |
| Compound Name: | N-(3-{[(4-bromophenyl)methyl]amino}-3-oxopropyl)-1-propyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 444.33 |
| Molecular Formula: | C20 H22 Br N5 O2 |
| Smiles: | CCCn1c2ccc(cc2nn1)C(NCCC(NCc1ccc(cc1)[Br])=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5091 |
| logD: | 2.5091 |
| logSw: | -2.8507 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 74.641 |
| InChI Key: | DKEKWVIQIVCFEP-UHFFFAOYSA-N |