N-cyclopentyl-1-{2-[(3,4-dimethoxyphenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
N-cyclopentyl-1-{2-[(3,4-dimethoxyphenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
N-cyclopentyl-1-{2-[(3,4-dimethoxyphenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0514 |
| Compound Name: | N-cyclopentyl-1-{2-[(3,4-dimethoxyphenyl)carbamamido]ethyl}-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 452.51 |
| Molecular Formula: | C23 H28 N6 O4 |
| Smiles: | COc1ccc(cc1OC)NC(NCCn1c2ccc(cc2nn1)C(NC1CCCC1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 2.2405 |
| logD: | 2.2405 |
| logSw: | -3.039 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 99.146 |
| InChI Key: | XOYVXKMHBNHMMB-UHFFFAOYSA-N |