methyl 3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate
Chemical Structure Depiction of
methyl 3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate
methyl 3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate
Compound characteristics
| Compound ID: | Y032-1609 |
| Compound Name: | methyl 3-[(6-methyl-1,3-benzothiazol-2-yl)carbamoyl]-5-nitrobenzoate |
| Molecular Weight: | 371.37 |
| Molecular Formula: | C17 H13 N3 O5 S |
| Smiles: | Cc1ccc2c(c1)sc(NC(c1cc(cc(c1)[N+]([O-])=O)C(=O)OC)=O)n2 |
| Stereo: | ACHIRAL |
| logP: | 4.3951 |
| logD: | 4.3564 |
| logSw: | -4.4443 |
| Hydrogen bond acceptors count: | 10 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 87.646 |
| InChI Key: | VUMZYIAQZOBHMZ-UHFFFAOYSA-N |