ethyl 2-({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
ethyl 2-({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
ethyl 2-({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | E002-1854 |
| Compound Name: | ethyl 2-({5-[bis(2-methylpropyl)amino]-1,3,4-thiadiazol-2-yl}carbamamido)-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 479.66 |
| Molecular Formula: | C22 H33 N5 O3 S2 |
| Smiles: | CCOC(c1c2CCCCc2sc1NC(Nc1nnc(N(CC(C)C)CC(C)C)s1)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 6.4064 |
| logD: | 5.2868 |
| logSw: | -5.6892 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 79.657 |
| InChI Key: | QSPQJMXQISQFPZ-UHFFFAOYSA-N |