Chemical ID: 6631608

c1ccc2c(c1)cc3ccccc3c2C=NNC(=O)C(=O)Nc4ccccc4C(=O)Nc5ccc(cc5)Cl
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

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