N-(3-{4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl}propyl)but-2-ynamide
Chemical Structure Depiction of
N-(3-{4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl}propyl)but-2-ynamide
N-(3-{4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl}propyl)but-2-ynamide
Compound characteristics
| Compound ID: | T001-2120 |
| Compound Name: | N-(3-{4-[(3-methylphenyl)methyl]-1,4-diazepan-1-yl}propyl)but-2-ynamide |
| Molecular Weight: | 327.47 |
| Molecular Formula: | C20 H29 N3 O |
| Smiles: | CC#CC(NCCCN1CCCN(CC1)Cc1cccc(C)c1)=O |
| Stereo: | ACHIRAL |
| logP: | 2.5777 |
| logD: | 2.2296 |
| logSw: | -2.7239 |
| Hydrogen bond acceptors count: | 4 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 32.405 |
| InChI Key: | UHXKFPPVHGHZFA-UHFFFAOYSA-N |