3,3-dimethyl-11-(5-nitrothiophen-2-yl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Chemical Structure Depiction of
3,3-dimethyl-11-(5-nitrothiophen-2-yl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
3,3-dimethyl-11-(5-nitrothiophen-2-yl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one
Compound characteristics
| Compound ID: | 3045-0127 |
| Compound Name: | 3,3-dimethyl-11-(5-nitrothiophen-2-yl)-10-(phenylacetyl)-2,3,4,5,10,11-hexahydro-1H-dibenzo[b,e][1,4]diazepin-1-one |
| Molecular Weight: | 487.58 |
| Molecular Formula: | C27 H25 N3 O4 S |
| Smiles: | CC1(C)CC2=C(C(c3ccc([N+]([O-])=O)s3)N(C(Cc3ccccc3)=O)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.4927 |
| logD: | 5.2752 |
| logSw: | -5.4009 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 73.389 |
| InChI Key: | XONRYUBXODFUQR-SANMLTNESA-N |