N-(4-methyl-1,3-benzothiazol-2-yl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Chemical Structure Depiction of
N-(4-methyl-1,3-benzothiazol-2-yl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
N-(4-methyl-1,3-benzothiazol-2-yl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide
Compound characteristics
| Compound ID: | C906-0629 |
| Compound Name: | N-(4-methyl-1,3-benzothiazol-2-yl)-4-({[2-(morpholin-4-yl)-3,4-dioxocyclobut-1-en-1-yl]amino}methyl)cyclohexane-1-carboxamide |
| Molecular Weight: | 468.57 |
| Molecular Formula: | C24 H28 N4 O4 S |
| Smiles: | Cc1cccc2c1nc(NC(C1CCC(CC1)CNC1=C(C(C1=O)=O)N1CCOCC1)=O)s2 |
| Stereo: | ACHIRAL |
| logP: | 3.6974 |
| logD: | 3.6966 |
| logSw: | -3.792 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 82.582 |
| InChI Key: | PFVGMGKSDBTWSB-UHFFFAOYSA-N |