6,12-dioxo-4b,6,7,8a,9,10,10a,10b,11,12-decahydro-9,11-methano-13-oxa-5,8-dithia-7-azabenzo[4,5]cycloocta[1,2,3-cd]-s-indacene-14-carboxylic acid
Chemical Structure Depiction of
6,12-dioxo-4b,6,7,8a,9,10,10a,10b,11,12-decahydro-9,11-methano-13-oxa-5,8-dithia-7-azabenzo[4,5]cycloocta[1,2,3-cd]-s-indacene-14-carboxylic acid
6,12-dioxo-4b,6,7,8a,9,10,10a,10b,11,12-decahydro-9,11-methano-13-oxa-5,8-dithia-7-azabenzo[4,5]cycloocta[1,2,3-cd]-s-indacene-14-carboxylic acid
Compound characteristics
| Compound ID: | 5499-0671 |
| Compound Name: | 6,12-dioxo-4b,6,7,8a,9,10,10a,10b,11,12-decahydro-9,11-methano-13-oxa-5,8-dithia-7-azabenzo[4,5]cycloocta[1,2,3-cd]-s-indacene-14-carboxylic acid |
| Molecular Weight: | 401.46 |
| Molecular Formula: | C19 H15 N O5 S2 |
| Smiles: | C1C2C3C4C5=C(NC(=O)S5)SC3C1C(C2C(=O)Oc1ccccc14)C(O)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 2.6381 |
| logD: | -0.2948 |
| logSw: | -3.3368 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 73.456 |
| InChI Key: | NDQHCUSCDKVEEN-UHFFFAOYSA-N |