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Chemical ID: 7022314
Chemical ID:
7022314
Name [?]:
N-[5-diethylamino-5-[(4-diethylaminophenyl)methyleneaminocarbamoyl]pentyl]benzamide
SMILES [?]:
CCN(CC)c1ccc(cc1)C=NNC(=O)C(CCCCNC(=O)c2ccccc2)N(CC)CC
InChi [?]:
InChI=1/C28H41N5O2/c1-5-32(6-2)25-19-17-23(18-20-25)22-30-31-28(35)26(33(7-3)8-4)16-12-13-21-29-27(34)24-14-10-9-11-15-24/h9-11,14-15,17-20,22,26H,5-8,12-13,16,21H2,1-4H3,(H,29,34)(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,5,33,35,2,4,32,34,28,27,29,19,20,26,30,18,8,10,7,11,21,12,9,25,6,17,23,15,22,13,14,3,31,24,16/E:(1,2)(3,4)(5,6)(7,8)(10,11)(14,15)(17,18)(19,20)/rA:35cCCNCCCCCCCCCNNCOCCCCCNCOCCCCCCNCCCC/rB:s1;s2;s3;s4;s3;s6;d7;s8;d9;d6s10;s9;w12;s13;s14;d15;s15;s17;s18;s19;s20;s21;s22;d23;s23;s25;d26;s27;d28;d25s29;s17;s31;s32;s31;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C28H41N5O2 |
All Atoms: | 76 |
Heavy Atoms: | 35 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 14.5833 |
Area: | 810.864 |
Solvation: | -5.68831 |
Coulombic: | -53.472 |
Bond Count [?]
All: | 36 |
Single: | 27 |
Double: | 9 |
Rotors: | 17 |
Chiral: | 1 |
Rigid Segments: | 12 |
Chemical Properties
Molecular Weight: | 479.658 |
H-Bond Donors: | 2 |
H-Bond Acceptors: | 7 |
XLogP: | 6.1 |
LogP (Chemaxon): | 4.88 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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