methyl 4-[(6-methyl-5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Chemical Structure Depiction of
methyl 4-[(6-methyl-5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
methyl 4-[(6-methyl-5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate
Compound characteristics
| Compound ID: | 1746-1473 |
| Compound Name: | methyl 4-[(6-methyl-5-nitro-1,3-benzothiazol-2-yl)carbamoyl]benzoate |
| Molecular Weight: | 371.37 |
| Molecular Formula: | C17 H13 N3 O5 S |
| Smiles: | Cc1cc2c(cc1[N+]([O-])=O)nc(NC(c1ccc(cc1)C(=O)OC)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 4.4707 |
| logD: | 4.4684 |
| logSw: | -4.4301 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.345 |
| InChI Key: | ZQHACVBHVGRMFH-UHFFFAOYSA-N |