methyl 2-[(4-acetyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-[(4-acetyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-[(4-acetyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | F053-0662 |
| Compound Name: | methyl 2-[(4-acetyl-3,4-dihydro-2H-1,4-benzothiazine-6-sulfonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 466.6 |
| Molecular Formula: | C20 H22 N2 O5 S3 |
| Smiles: | CC(N1CCSc2ccc(cc12)S(Nc1c(C(=O)OC)c2CCCCc2s1)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 3.2957 |
| logD: | -2.9132 |
| logSw: | -3.9985 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 77.829 |
| InChI Key: | BRQCRQKQLJQSKU-UHFFFAOYSA-N |