2-benzyl-8-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Chemical Structure Depiction of
2-benzyl-8-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
2-benzyl-8-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one
Compound characteristics
| Compound ID: | S994-0347 |
| Compound Name: | 2-benzyl-8-(5-fluoro-2-methoxybenzene-1-sulfonyl)octahydropyrazino[1,2-d][1,4]diazepin-1(2H)-one |
| Molecular Weight: | 447.53 |
| Molecular Formula: | C22 H26 F N3 O4 S |
| Smiles: | COc1ccc(cc1S(N1CCC2C(N(CCN2CC1)Cc1ccccc1)=O)(=O)=O)F |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.0811 |
| logD: | 2.0811 |
| logSw: | -2.7307 |
| Hydrogen bond acceptors count: | 9 |
| Polar surface area: | 59.495 |
| InChI Key: | MQJRACUFJNFTDP-LJQANCHMSA-N |