methyl 4-{[(naphtho[2,1-d][1,3]thiazol-2-yl)carbamothioyl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 4-{[(naphtho[2,1-d][1,3]thiazol-2-yl)carbamothioyl]carbamoyl}benzoate
methyl 4-{[(naphtho[2,1-d][1,3]thiazol-2-yl)carbamothioyl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | 3343-0968 |
| Compound Name: | methyl 4-{[(naphtho[2,1-d][1,3]thiazol-2-yl)carbamothioyl]carbamoyl}benzoate |
| Molecular Weight: | 421.49 |
| Molecular Formula: | C21 H15 N3 O3 S2 |
| Smiles: | COC(c1ccc(cc1)C(NC(Nc1nc2ccc3ccccc3c2s1)=S)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 5.5814 |
| logD: | 5.5806 |
| logSw: | -6.6961 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 63.903 |
| InChI Key: | QUZORURWKPEKDL-UHFFFAOYSA-N |