6,6'-(1,4-diazepane-1,4-diyldisulfonyl)di(2H-1,4-benzoxazin-3(4H)-one)
Chemical Structure Depiction of
6,6'-(1,4-diazepane-1,4-diyldisulfonyl)di(2H-1,4-benzoxazin-3(4H)-one)
6,6'-(1,4-diazepane-1,4-diyldisulfonyl)di(2H-1,4-benzoxazin-3(4H)-one)
Compound characteristics
| Compound ID: | 8018-3643 |
| Compound Name: | 6,6'-(1,4-diazepane-1,4-diyldisulfonyl)di(2H-1,4-benzoxazin-3(4H)-one) |
| Molecular Weight: | 522.55 |
| Molecular Formula: | C21 H22 N4 O8 S2 |
| Smiles: | C1CN(CCN(C1)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O)S(c1ccc2c(c1)NC(CO2)=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 0.3042 |
| logD: | 0.304 |
| logSw: | -2.4499 |
| Hydrogen bond acceptors count: | 16 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 130.34 |
| InChI Key: | IFNKXCRJECDQTA-UHFFFAOYSA-N |