N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Chemical Structure Depiction of
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide
Compound characteristics
| Compound ID: | 8289-3945 |
| Compound Name: | N-[3-(1,3-benzothiazol-2-yl)-2-methylphenyl]-3-nitro-4-(pyrrolidin-1-yl)benzamide |
| Molecular Weight: | 458.54 |
| Molecular Formula: | C25 H22 N4 O3 S |
| Smiles: | Cc1c(cccc1NC(c1ccc(c(c1)[N+]([O-])=O)N1CCCC1)=O)c1nc2ccccc2s1 |
| Stereo: | ACHIRAL |
| logP: | 5.7845 |
| logD: | 5.7837 |
| logSw: | -5.458 |
| Hydrogen bond acceptors count: | 7 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 68.679 |
| InChI Key: | UIWLHJMPWUSBTM-UHFFFAOYSA-N |