methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoate
Chemical Structure Depiction of
methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoate
methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoate
Compound characteristics
| Compound ID: | 3338-0888 |
| Compound Name: | methyl 4-{[3-(1,3-benzothiazol-2-yl)-6-methyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]carbamoyl}benzoate |
| Molecular Weight: | 462.59 |
| Molecular Formula: | C25 H22 N2 O3 S2 |
| Smiles: | CC1CCc2c(c(NC(c3ccc(cc3)C(=O)OC)=O)sc2C1)c1nc2ccccc2s1 |
| Stereo: | RACEMIC MIXTURE |
| logP: | 6.5224 |
| logD: | 6.4454 |
| logSw: | -5.8458 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 53.667 |
| InChI Key: | NUICEGNQVVMSDH-CQSZACIVSA-N |