methyl 3-{[4-amino-5-(4-bromobenzoyl)-1,3-thiazol-2-yl]amino}benzoate
Chemical Structure Depiction of
methyl 3-{[4-amino-5-(4-bromobenzoyl)-1,3-thiazol-2-yl]amino}benzoate
methyl 3-{[4-amino-5-(4-bromobenzoyl)-1,3-thiazol-2-yl]amino}benzoate
Compound characteristics
| Compound ID: | F091-0490 |
| Compound Name: | methyl 3-{[4-amino-5-(4-bromobenzoyl)-1,3-thiazol-2-yl]amino}benzoate |
| Molecular Weight: | 432.29 |
| Molecular Formula: | C18 H14 Br N3 O3 S |
| Smiles: | COC(c1cccc(c1)Nc1nc(c(C(c2ccc(cc2)[Br])=O)s1)N)=O |
| Stereo: | ACHIRAL |
| logP: | 5.286 |
| logD: | 5.286 |
| logSw: | -5.4643 |
| Hydrogen bond acceptors count: | 6 |
| Hydrogen bond donors count: | 3 |
| Polar surface area: | 74.535 |
| InChI Key: | SMVDTEKBGHCRKD-UHFFFAOYSA-N |