8-(4-benzylpiperazine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one
Chemical Structure Depiction of
8-(4-benzylpiperazine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one
8-(4-benzylpiperazine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | P896-0014 |
| Compound Name: | 8-(4-benzylpiperazine-1-sulfonyl)-2,3,4,5-tetrahydro-1H-pyrrolo[1,2-a][1,4]diazepin-1-one |
| Molecular Weight: | 388.49 |
| Molecular Formula: | C19 H24 N4 O3 S |
| Smiles: | C1CNC(c2cc(cn2C1)S(N1CCN(CC1)Cc1ccccc1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.8555 |
| logD: | 0.8486 |
| logSw: | -2.3642 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 63.214 |
| InChI Key: | AESMYDOLYSBDMJ-UHFFFAOYSA-N |