N-cyclopentyl-1-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
N-cyclopentyl-1-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0562 |
| Compound Name: | N-cyclopentyl-1-(2-{[3-(methylsulfanyl)phenyl]carbamamido}ethyl)-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 438.55 |
| Molecular Formula: | C22 H26 N6 O2 S |
| Smiles: | CSc1cccc(c1)NC(NCCn1c2ccc(cc2nn1)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.1665 |
| logD: | 3.1665 |
| logSw: | -3.5011 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 83.886 |
| InChI Key: | PHVUIGXLWSAFNW-UHFFFAOYSA-N |