N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1-(pyrrolidine-1-sulfonyl)piperidine-4-carboxamide
Chemical Structure Depiction of
N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1-(pyrrolidine-1-sulfonyl)piperidine-4-carboxamide
N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1-(pyrrolidine-1-sulfonyl)piperidine-4-carboxamide
Compound characteristics
| Compound ID: | F782-1871 |
| Compound Name: | N-[2-(2-methylpropanamido)-1,3-benzothiazol-5-yl]-1-(pyrrolidine-1-sulfonyl)piperidine-4-carboxamide |
| Molecular Weight: | 479.62 |
| Molecular Formula: | C21 H29 N5 O4 S2 |
| Smiles: | [H]c1cc2c(cc1NC(C1CCN(CC1)S(N1CCCC1)(=O)=O)=O)nc(NC(C(C)C)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 2.7288 |
| logD: | 2.7281 |
| logSw: | -3.3751 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 90.937 |
| InChI Key: | HYPHHJSPSRLCHU-UHFFFAOYSA-N |