N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Chemical Structure Depiction of
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide
Compound characteristics
| Compound ID: | F848-0122 |
| Compound Name: | N-[2-(4-methylpiperazin-1-yl)ethyl]-4-[5-(pyrrolidine-1-sulfonyl)-1H-benzotriazol-1-yl]butanamide |
| Molecular Weight: | 463.6 |
| Molecular Formula: | C21 H33 N7 O3 S |
| Smiles: | CN1CCN(CCNC(CCCn2c3ccc(cc3nn2)S(N2CCCC2)(=O)=O)=O)CC1 |
| Stereo: | ACHIRAL |
| logP: | -0.5814 |
| logD: | -1.2489 |
| logSw: | -2.2107 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 89.492 |
| InChI Key: | FZRAYVDHDDHCCM-UHFFFAOYSA-N |