7-[2,4-bis(morpholin-4-yl)-5-nitrophenyl]-3-sulfanylidene-8-oxa-2,4-diazabicyclo[4.2.0]oct-1(6)-en-5-one
Chemical Structure Depiction of
7-[2,4-bis(morpholin-4-yl)-5-nitrophenyl]-3-sulfanylidene-8-oxa-2,4-diazabicyclo[4.2.0]oct-1(6)-en-5-one
7-[2,4-bis(morpholin-4-yl)-5-nitrophenyl]-3-sulfanylidene-8-oxa-2,4-diazabicyclo[4.2.0]oct-1(6)-en-5-one
Compound characteristics
| Compound ID: | 8011-7161 |
| Compound Name: | 7-[2,4-bis(morpholin-4-yl)-5-nitrophenyl]-3-sulfanylidene-8-oxa-2,4-diazabicyclo[4.2.0]oct-1(6)-en-5-one |
| Molecular Weight: | 447.47 |
| Molecular Formula: | C19 H21 N5 O6 S |
| Smiles: | C1COCCN1c1cc(c(cc1C1C2=C(NC(NC2=O)=S)O1)[N+]([O-])=O)N1CCOCC1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 1.3525 |
| logD: | 1.2667 |
| logSw: | -2.6743 |
| Hydrogen bond acceptors count: | 11 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 99.98 |
| InChI Key: | URWSGDPPIZGQRJ-INIZCTEOSA-N |