1-(2,4-Dichlorophenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea
Basic information
- CAS
6372-24-3- Standard SMILES
O=C(Nc1nnc(-c2ccc([N+](=O)[O-])cc2)s1)Nc1ccc(Cl)cc1Cl- InChIKey
HSXQXYMMZRFKOF-UHFFFAOYSA-N- Molecular formula
- C15H9Cl2N5O3S
- Average molar mass
- 410.2 g/mol
- Monoisotopic mass
- 408.9803157
Names & identifiers
- Preferred name
- 1-(2,4-Dichlorophenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea
- IUPAC
- 1-(2,4-dichlorophenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea
Names & synonyms
1-(2,4-dichlorophenyl)-3-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]ureaZINC171473746372-24-3N-(2,4-dichlorophenyl)-N'-[5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl]urea1-(2,4-dichlorophenyl)-3-(5-(4-nitrophenyl)-1,3,4-thiadiazol-2-yl)ureaOprea1_648781DTXSID90361758MFCD02638183MFCD03810185STK076313STL148644AKOS005390866
Show more names
AKOS005748549ZINC000017147374AB00105821-01O=C(Nc1ccc(cc1Cl)Cl)Nc1nnc(s1)c1ccc(cc1)(N+)(=O)(O)1(24DICHLOROPHENYL)3(5(4NITROPHENYL)134THIADIAZOL2YL)UREAClc1ccc(c(c1)Cl)NC(=O)N=c1(nH)nc(s1)c1ccc(cc1)(N+)(=O)(O)1(24DICHLOROPHENYL)3((2E)5(4NITROPHENYL)134THIADIAZOL2(3H)YLIDENE)UREAC1=CC(=CC=C1C2=NN=C(S2)NC(=O)NC3=C(C=C(C=C3)Cl)Cl)(N+)(=O)(O)
Database identifiers
- CAS
6372-24-3- PubChem CID
- 1335342
- DTXSID
DTXSID90361758
Properties
Computed structural properties
- XLogP
- 4
- Topological polar surface area
- 141 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 518
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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