N-cyclopropyl-3,3-dimethyl-11-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Chemical Structure Depiction of
N-cyclopropyl-3,3-dimethyl-11-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
N-cyclopropyl-3,3-dimethyl-11-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide
Compound characteristics
| Compound ID: | 8016-0443 |
| Compound Name: | N-cyclopropyl-3,3-dimethyl-11-(3-nitrophenyl)-1-oxo-1,2,3,4,5,11-hexahydro-10H-dibenzo[b,e][1,4]diazepine-10-carbothioamide |
| Molecular Weight: | 462.57 |
| Molecular Formula: | C25 H26 N4 O3 S |
| Smiles: | CC1(C)CC2=C(C(c3cccc(c3)[N+]([O-])=O)N(C(NC3CC3)=S)c3ccccc3N2)C(C1)=O |
| Stereo: | RACEMIC MIXTURE |
| logP: | 5.0238 |
| logD: | 5.0219 |
| logSw: | -4.7482 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 68.175 |
| InChI Key: | SSVKAJVAMBLAER-QHCPKHFHSA-N |