3-benzoyl-7-nitro-1,3,4-benzothiadiazepin-2(3H)-one
Chemical Structure Depiction of
3-benzoyl-7-nitro-1,3,4-benzothiadiazepin-2(3H)-one
3-benzoyl-7-nitro-1,3,4-benzothiadiazepin-2(3H)-one
Compound characteristics
| Compound ID: | 8015-0570 |
| Compound Name: | 3-benzoyl-7-nitro-1,3,4-benzothiadiazepin-2(3H)-one |
| Molecular Weight: | 327.32 |
| Molecular Formula: | C15 H9 N3 O4 S |
| Smiles: | C1c2cc(ccc2SC(N(C(c2ccccc2)=O)N=1)=O)[N+]([O-])=O |
| Stereo: | ACHIRAL |
| logP: | 2.9946 |
| logD: | 2.9946 |
| logSw: | -3.4592 |
| Hydrogen bond acceptors count: | 10 |
| Polar surface area: | 73.824 |
| InChI Key: | PJWIPVJWGXWOJI-UHFFFAOYSA-N |