N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide
Chemical Structure Depiction of
N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide
N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide
Compound characteristics
| Compound ID: | F488-0043 |
| Compound Name: | N-(4-chloro-1,3-benzothiazol-7-yl)-4-(3,4-dihydroisoquinoline-2(1H)-sulfonyl)benzamide |
| Molecular Weight: | 483.99 |
| Molecular Formula: | C23 H18 Cl N3 O3 S2 |
| Smiles: | C1CN(Cc2ccccc12)S(c1ccc(cc1)C(Nc1ccc(c2c1scn2)[Cl])=O)(=O)=O |
| Stereo: | ACHIRAL |
| logP: | 4.7925 |
| logD: | 4.3057 |
| logSw: | -5.0456 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 1 |
| Polar surface area: | 64.118 |
| InChI Key: | QXDDURUFROICIW-UHFFFAOYSA-N |