({4-[5,11-bis(4-methylbenzene-1-sulfonyl)-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocin-13-yl]phenyl}sulfanyl)acetic acid
Chemical Structure Depiction of
({4-[5,11-bis(4-methylbenzene-1-sulfonyl)-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocin-13-yl]phenyl}sulfanyl)acetic acid
({4-[5,11-bis(4-methylbenzene-1-sulfonyl)-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocin-13-yl]phenyl}sulfanyl)acetic acid
Compound characteristics
| Compound ID: | 3824-0082 |
| Compound Name: | ({4-[5,11-bis(4-methylbenzene-1-sulfonyl)-5,6,11,12-tetrahydro-6,12-epiminodibenzo[b,f][1,5]diazocin-13-yl]phenyl}sulfanyl)acetic acid |
| Molecular Weight: | 697.85 |
| Molecular Formula: | C36 H31 N3 O6 S3 |
| Smiles: | Cc1ccc(cc1)S(N1C2c3ccccc3N(C(c3ccccc13)N2c1ccc(cc1)SCC(O)=O)S(c1ccc(C)cc1)(=O)=O)(=O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 7.4028 |
| logD: | 3.9165 |
| logSw: | -5.6432 |
| Hydrogen bond acceptors count: | 12 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 91.096 |
| InChI Key: | LFYAXIZCYSPNER-UHFFFAOYSA-N |