4-[(3-carbamoyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Chemical Structure Depiction of
4-[(3-carbamoyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
4-[(3-carbamoyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid
Compound characteristics
| Compound ID: | Y509-0556 |
| Compound Name: | 4-[(3-carbamoyl-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)amino]-4-oxobut-2-enoic acid |
| Molecular Weight: | 378.49 |
| Molecular Formula: | C19 H26 N2 O4 S |
| Smiles: | C1CCCCCc2c(CCCC1)c(C(N)=O)c(NC(/C=C/C(O)=O)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.5903 |
| logD: | -0.8681 |
| logSw: | -3.9124 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 4 |
| Polar surface area: | 85.877 |
| InChI Key: | MJRYERHSCVVTDL-UHFFFAOYSA-N |