methyl 2-({2-[(methanesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-({2-[(methanesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-({2-[(methanesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L366-0089 |
| Compound Name: | methyl 2-({2-[(methanesulfonyl)amino]-1,3-benzothiazol-6-yl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 480.58 |
| Molecular Formula: | C19 H20 N4 O5 S3 |
| Smiles: | [H]c1cc(cc2c1nc(NS(C)(=O)=O)s2)NC(Nc1c(C(=O)OC)c2CCCCc2s1)=O |
| Stereo: | ACHIRAL |
| logP: | 4.1955 |
| logD: | 2.9381 |
| logSw: | -4.5273 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 105.059 |
| InChI Key: | KJXRBCUHRQUVSG-UHFFFAOYSA-N |