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Chemical ID: 7527457
Chemical ID:
7527457
Name [?]:
2-chloro-N-isopropyl-4-nitro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]benzamide
SMILES [?]:
CC(C)N(Cc1nc(no1)c2ccccc2)C(=O)c3ccc(cc3Cl)[N+](=O)[O-]
InChi [?]:
InChI=1/C19H17ClN4O4/c1-12(2)23(19(25)15-9-8-14(24(26)27)10-16(15)20)11-17-21-18(22-28-17)13-6-4-3-5-7-13/h3-10,12H,11H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,14,13,15,12,16,21,20,23,5,2,11,22,19,24,6,8,17,25,7,9,4,26,18,27,28,10/E:(1,2)(4,5)(6,7)(26,27)/CRV:24.5/rA:28nCCCNCCNCNOCCCCCCCOCCCCCCClN+OO-/rB:s1;s2;s2;s4;s5;d6;s7;d8;s6s9;s8;s11;d12;s13;d14;d11s15;s4;d17;s17;s19;d20;s21;d22;d19s23;s24;s22;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H17ClN4O4 |
All Atoms: | 45 |
Heavy Atoms: | 28 |
Chiral Atoms: | None |
ZAP Information [?]
Total: | 6.08216 |
Area: | 574.889 |
Solvation: | -8.29007 |
Coulombic: | -41.3238 |
Bond Count [?]
All: | 30 |
Single: | 20 |
Double: | 10 |
Rotors: | 7 |
Chiral: | None |
Rigid Segments: | None |
Chemical Properties
Molecular Weight: | None |
H-Bond Donors: | None |
H-Bond Acceptors: | None |
XLogP: | 4.69 |
LogP (Chemaxon): | None |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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