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Chemical ID: 4634473
Chemical ID:
4634473
Name [?]:
N-[4-[(4-methoxy-3-nitro-phenyl)methyleneaminocarbamoylmethyl-methyl-sulfamoyl]phenyl]acetamide
SMILES [?]:
CC(=O)Nc1ccc(cc1)S(=O)(=O)N(C)CC(=O)NN=Cc2ccc(c(c2)[N+](=O)[O-])OC
InChi [?]:
InChI=1/C19H21N5O7S/c1-13(25)21-15-5-7-16(8-6-15)32(29,30)23(2)12-19(26)22-20-11-14-4-9-18(31-3)17(10-14)24(27)28/h4-11H,12H2,1-3H3,(H,21,25)(H,22,26)
InChi Info:
AuxInfo=1/1/N:1,15,32,23,6,10,7,9,24,27,21,16,2,22,5,8,26,25,17,20,4,19,14,28,3,18,29,30,12,13,31,11/E:(5,6)(7,8)(27,28)(29,30)/CRV:24.5,32.6/rA:32cCCONCCCCCCSOONCCCONNCCCCCCCN+OO-OC/rB:s1;d2;s2;s4;s5;d6;s7;d8;d5s9;s8;d11;d11;s11;s14;s14;s16;d17;s17;s19;w20;s21;s22;d23;s24;d25;d22s26;s26;d28;s28;s25;s31;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C19H21N5O7S |
All Atoms: | 32 |
Heavy Atoms: | 32 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 1.92764 |
Area: | 674.664 |
Solvation: | -14.939 |
Coulombic: | -58.8613 |
Bond Count [?]
All: | 33 |
Single: | 21 |
Double: | 12 |
Rotors: | 11 |
Chiral: | 1 |
Rigid Segments: | 9 |
Chemical Properties
Molecular Weight: | 463.466 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 12 |
XLogP: | 1.79 |
LogP (Chemaxon): | 1.42 |
Name Annotations
Note: All annotations are abbreviated. For more detailed information please download chemical.
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Experimental Annotations
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Descriptor Annotations
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