2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione
Chemical Structure Depiction of
2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione
2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione
Compound characteristics
| Compound ID: | 8018-3231 |
| Compound Name: | 2,3,8,9,10,11-hexahydro-1H-pyrrolo[1'',2'':1',2'][1,4]diazepino[5',6':4,5]thieno[2,3-b]quinoline-5,14(13H,14aH)-dione |
| Molecular Weight: | 327.4 |
| Molecular Formula: | C17 H17 N3 O2 S |
| Smiles: | [H][C@]12CCCN2C(c2c(c3cc4CCCCc4nc3s2)NC1=O)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 2.1918 |
| logD: | 1.6916 |
| logSw: | -2.7496 |
| Hydrogen bond acceptors count: | 5 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 50.938 |
| InChI Key: | JIHHOYHMBSDCKY-GFCCVEGCSA-N |