9-[4-(propan-2-yl)benzene-1-sulfonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
9-[4-(propan-2-yl)benzene-1-sulfonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
9-[4-(propan-2-yl)benzene-1-sulfonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | SD68-0114 |
| Compound Name: | 9-[4-(propan-2-yl)benzene-1-sulfonyl]octahydropyrazino[1,2-a][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 351.47 |
| Molecular Formula: | C17 H25 N3 O3 S |
| Smiles: | CC(C)c1ccc(cc1)S(N1CCCN2CCNC(C2C1)=O)(=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.6577 |
| logD: | 1.6564 |
| logSw: | -2.5768 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 60.452 |
| InChI Key: | CLQLXJXXMCCWME-INIZCTEOSA-N |