1,3-dimethyl-5-{4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazine-1-sulfonyl}-1,3-dihydro-2H-benzimidazol-2-one
Chemical Structure Depiction of
1,3-dimethyl-5-{4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazine-1-sulfonyl}-1,3-dihydro-2H-benzimidazol-2-one
1,3-dimethyl-5-{4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazine-1-sulfonyl}-1,3-dihydro-2H-benzimidazol-2-one
Compound characteristics
| Compound ID: | 8017-5713 |
| Compound Name: | 1,3-dimethyl-5-{4-[4-(morpholine-4-carbonyl)-2-nitrophenyl]piperazine-1-sulfonyl}-1,3-dihydro-2H-benzimidazol-2-one |
| Molecular Weight: | 544.59 |
| Molecular Formula: | C24 H28 N6 O7 S |
| Smiles: | CN1C(N(C)c2cc(ccc12)S(N1CCN(CC1)c1ccc(cc1[N+]([O-])=O)C(N1CCOCC1)=O)(=O)=O)=O |
| Stereo: | ACHIRAL |
| logP: | 1.312 |
| logD: | 1.312 |
| logSw: | -2.4509 |
| Hydrogen bond acceptors count: | 14 |
| Polar surface area: | 110.231 |
| InChI Key: | BOEHZOJUWVDUAR-UHFFFAOYSA-N |