methyl 2-[(2-acetamido-1,3-benzothiazol-6-yl)carbamamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(2-acetamido-1,3-benzothiazol-6-yl)carbamamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(2-acetamido-1,3-benzothiazol-6-yl)carbamamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | F690-0190 |
| Compound Name: | methyl 2-[(2-acetamido-1,3-benzothiazol-6-yl)carbamamido]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 444.53 |
| Molecular Formula: | C20 H20 N4 O4 S2 |
| Smiles: | [H]c1cc(cc2c1nc(NC(C)=O)s2)NC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.6141 |
| logD: | 3.3567 |
| logSw: | -4.6666 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 86.453 |
| InChI Key: | ZMQBKEBCLSZPCW-UHFFFAOYSA-N |