2-chloro-5-(1-ethyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
Chemical Structure Depiction of
2-chloro-5-(1-ethyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
2-chloro-5-(1-ethyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid
Compound characteristics
| Compound ID: | 8010-3250 |
| Compound Name: | 2-chloro-5-(1-ethyl-16,18-dioxo-17-azapentacyclo[6.6.5.0~2,7~.0~9,14~.0~15,19~]nonadeca-2,4,6,9,11,13-hexaen-17-yl)benzoic acid |
| Molecular Weight: | 457.91 |
| Molecular Formula: | C27 H20 Cl N O4 |
| Smiles: | CCC12C3C(C(c4ccccc14)c1ccccc12)C(N(C3=O)c1ccc(c(c1)C(O)=O)[Cl])=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 4.5598 |
| logD: | 0.9533 |
| logSw: | -4.4812 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 56.858 |
| InChI Key: | LLMWJBZTHJLJTR-UHFFFAOYSA-N |