N-{2-[(2E)-2-({4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzene-1-sulfonamide
Chemical Structure Depiction of
N-{2-[(2E)-2-({4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzene-1-sulfonamide
N-{2-[(2E)-2-({4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzene-1-sulfonamide
Compound characteristics
| Compound ID: | K089-0173 |
| Compound Name: | N-{2-[(2E)-2-({4-ethoxy-3-[(6-oxo-7,11-diazatricyclo[7.3.1.0~2,7~]trideca-2,4-dien-11-yl)methyl]phenyl}methylidene)hydrazinyl]-2-oxoethyl}-4-methylbenzene-1-sulfonamide |
| Molecular Weight: | 577.7 |
| Molecular Formula: | C30 H35 N5 O5 S |
| Smiles: | CCOc1ccc(/C=N/NC(CNS(c2ccc(C)cc2)(=O)=O)=O)cc1CN1CC2CC(C1)C1=CC=CC(N1C2)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 3.8883 |
| logD: | 3.4774 |
| logSw: | -3.8952 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 104.012 |
| InChI Key: | AFCMQILQTFVTCW-UHFFFAOYSA-N |