1-(2-{[(3-methoxyphenyl)methyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide
Chemical Structure Depiction of
1-(2-{[(3-methoxyphenyl)methyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide
1-(2-{[(3-methoxyphenyl)methyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide
Compound characteristics
| Compound ID: | L447-0328 |
| Compound Name: | 1-(2-{[(3-methoxyphenyl)methyl]carbamamido}ethyl)-N-(propan-2-yl)-1H-benzotriazole-5-sulfonamide |
| Molecular Weight: | 446.53 |
| Molecular Formula: | C20 H26 N6 O4 S |
| Smiles: | CC(C)NS(c1ccc2c(c1)nnn2CCNC(NCc1cccc(c1)OC)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.5576 |
| logD: | 1.5573 |
| logSw: | -2.4964 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 109.464 |
| InChI Key: | PPPSOPCLOYVIOT-UHFFFAOYSA-N |