ethyl 2-[(3-carbamoyl-6-chloro-2H-1-benzopyran-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-[(3-carbamoyl-6-chloro-2H-1-benzopyran-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-[(3-carbamoyl-6-chloro-2H-1-benzopyran-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | 1926-2272 |
| Compound Name: | ethyl 2-[(3-carbamoyl-6-chloro-2H-1-benzopyran-2-ylidene)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 430.91 |
| Molecular Formula: | C21 H19 Cl N2 O4 S |
| Smiles: | CCOC(c1c2CCCCc2sc1/N=C1/C(=Cc2cc(ccc2O1)[Cl])C(N)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1337 |
| logD: | 4.1337 |
| logSw: | -4.8777 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 70.473 |
| InChI Key: | DIGMNUUZTRHEPH-UHFFFAOYSA-N |