methyl 2-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Chemical Structure Depiction of
methyl 2-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
methyl 2-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Compound characteristics
| Compound ID: | L320-0478 |
| Compound Name: | methyl 2-{[4-(1,3-benzothiazol-2-yl)-2-methylphenyl]carbamamido}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate |
| Molecular Weight: | 477.6 |
| Molecular Formula: | C25 H23 N3 O3 S2 |
| Smiles: | Cc1cc(ccc1NC(Nc1c(C(=O)OC)c2CCCCc2s1)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 6.321 |
| logD: | 4.5605 |
| logSw: | -5.4969 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 62.181 |
| InChI Key: | CUUILKLCTBCXBN-UHFFFAOYSA-N |