1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide
Chemical Structure Depiction of
1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide
1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide
Compound characteristics
| Compound ID: | L693-0386 |
| Compound Name: | 1-{2-[(2,3-dihydro-1,4-benzodioxin-6-yl)carbamamido]ethyl}-N,N-diethyl-1H-benzotriazole-5-carboxamide |
| Molecular Weight: | 438.49 |
| Molecular Formula: | C22 H26 N6 O4 |
| Smiles: | CCN(CC)C(c1ccc2c(c1)nnn2CCNC(Nc1ccc2c(c1)OCCO2)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.7825 |
| logD: | 0.7825 |
| logSw: | -2.0773 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 91.136 |
| InChI Key: | JUPLUYFBXDACHA-UHFFFAOYSA-N |