| Drug Name |
Z223457004
|
| Synonyms |
SCHEMBL18352896; BDBM113297; ZINC12619614; AKOS033814184; MCULE-3787435099; US9695194, 14; Z223457004; 5-(2-methanesulfonylphenyl)-6,11,14-trioxa-4-azatricyclo[8.4.0.0^{3,8}]tetradeca-1,3(8),4,9-tetraen-7-one; 1000928-10-8
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| Drug Type |
Small molecular drug
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| Structure |
|
 |
|
3D MOL
|
2D MOL
|
| #Ro5 Violations (Lipinski): 0 |
Molecular Weight (mw) |
359.4 |
|
| Logarithm of the Partition Coefficient (xlogp) |
1.9 |
| Rotatable Bond Count (rotbonds) |
2 |
| Hydrogen Bond Donor Count (hbonddonor) |
0 |
| Hydrogen Bond Acceptor Count (hbondacc) |
7 |
| Chemical Identifiers |
- Formula
- C17H13NO6S
- IUPAC Name
2-(2-methylsulfonylphenyl)-7,8-dihydro-[1,4]dioxino[2,3-g][3,1]benzoxazin-4-one - Canonical SMILES
-
CS(=O)(=O)C1=CC=CC=C1C2=NC3=CC4=C(C=C3C(=O)O2)OCCO4
- InChI
-
InChI=1S/C17H13NO6S/c1-25(20,21)15-5-3-2-4-10(15)16-18-12-9-14-13(22-6-7-23-14)8-11(12)17(19)24-16/h2-5,8-9H,6-7H2,1H3
- InChIKey
-
NYGGGQOBPHOCIJ-UHFFFAOYSA-N
|
| Cross-matching ID |
- PubChem CID
- 25400536
- TTD ID
- D00PVE
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