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Chemical ID: 6631608
Chemical ID:
6631608
Name [?]:
N-(9-anthrylmethyleneamino)-N'-[2-[(4-chlorophenyl)carbamoyl]phenyl]-oxamide
SMILES [?]:
c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)C(=O)Nc4ccccc4C(=O)Nc5ccc(cc5)Cl
InChi [?]:
InChI=1/C30H21ClN4O3/c31-21-13-15-22(16-14-21)33-28(36)25-11-5-6-12-27(25)34-29(37)30(38)35-32-18-26-23-9-3-1-7-19(23)17-20-8-2-4-10-24(20)26/h1-18H,(H,33,36)(H,34,37)(H,35,38)
InChi Info:
AuxInfo=1/1/N:1,10,2,11,26,25,6,9,3,12,27,24,34,36,33,37,7,15,5,8,35,32,4,13,28,14,23,29,20,18,38,16,31,22,17,30,21,19/E:(1,2)(3,4)(7,8)(9,10)(13,14)(15,16)(19,20)(23,24)/rA:38nCCCCCCCCCCCCCCCNNCOCONCCCCCCCONCCCCCCCl/rB:s1;d2;s3;s4;d1s5;d5;s7;s8;d9;s10;d11;d8s12;d4s13;s14;w15;s16;s17;d18;s18;d20;s20;s22;s23;d24;s25;d26;d23s27;s28;d29;s29;s31;s32;d33;s34;d35;d32s36;s35;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C30H21ClN4O3 |
All Atoms: | 38 |
Heavy Atoms: | 38 |
Chiral Atoms: | 0 |
ZAP Information [?]
Total: | 14.8878 |
Area: | 755.831 |
Solvation: | -4.00801 |
Coulombic: | -69.4363 |
Bond Count [?]
All: | 42 |
Single: | 25 |
Double: | 17 |
Rotors: | 9 |
Chiral: | 1 |
Rigid Segments: | 7 |
Chemical Properties
Molecular Weight: | 520.966 |
H-Bond Donors: | 3 |
H-Bond Acceptors: | 7 |
XLogP: | 7.58 |
LogP (Chemaxon): | 6.56 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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