methyl 4-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]carbamoyl}benzoate
methyl 4-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | 3343-1010 |
| Compound Name: | methyl 4-{[(6-methyl-4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)carbamothioyl]carbamoyl}benzoate |
| Molecular Weight: | 389.49 |
| Molecular Formula: | C18 H19 N3 O3 S2 |
| Smiles: | CC1CCc2c(C1)sc(NC(NC(c1ccc(cc1)C(=O)OC)=O)=S)n2 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 4.657 |
| logD: | 4.6166 |
| logSw: | -4.3793 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 65.881 |
| InChI Key: | JREVYJMTWGENOB-SNVBAGLBSA-N |