3,3,7,8-tetramethyl-11-(5-nitrothiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3,7,8-tetramethyl-11-(5-nitrothiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3,7,8-tetramethyl-11-(5-nitrothiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 8011-0654 |
| Compound Name: | 3,3,7,8-tetramethyl-11-(5-nitrothiophen-2-yl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 397.49 |
| Molecular Formula: | C21 H23 N3 O3 S |
| Smiles: | Cc1cc2c(cc1C)NC1CC(C)(C)CC(C=1C(c1ccc([N+]([O-])=O)s1)N2)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.9023 |
| logD: | 4.8869 |
| logSw: | -4.6969 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 71.499 |
| InChI Key: | YQUXWNJXUAXPHQ-FQEVSTJZSA-N |