Chemical ID: 7354870

CCC(C)C(C(=O)NCc1ccco1)NC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
Chemical ID:
7354870
Name [?]:
None
SMILES [?]:
CCC(C)C(C(=O)NCc1ccco1)NC(=O)C2Cc3c4ccccc4[nH]c3C5N2C(=O)c6c5cccc6
InChi [?]:
InChI=1/C30H30N4O4/c1-3-17(2)25(29(36)31-16-18-9-8-14-38-18)33-28(35)24-15-22-19-10-6-7-13-23(19)32-26(22)27-20-11-4-5-12-21(20)30(37)34(24)27/h4-14,17,24-25,27,32H,3,15-16H2,1-2H3,(H,31,36)(H,33,35)
InChi Info:
AuxInfo=1/1/N:1,4,2,36,37,23,24,12,11,22,35,38,25,13,19,9,3,10,21,34,33,20,26,18,5,28,29,16,6,31,8,27,15,30,17,7,32,14/rA:38cCCCCCCONCCCCCONCOCCCCCCCCCNCCNCOCCCCCC/rB:s1;s2;s3;s3;s5;d6;s6;s8;s9;d10;s11;d12;s10s13;s5;s15;d16;s16;s18;s19;s20;s21;d22;s23;d24;d21s25;s26;d20s27;s28;s18s29;s30;d31;s31;s29s33;d34;s35;d36;d33s37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C30H30N4O4
All Atoms:68
Heavy Atoms:38
Chiral Atoms:4
ZAP Information [?]
Total:13.1468
Area:725.809
Solvation:-4.99843
Coulombic:-80.2004
Bond Count [?]
All:43
Single:31
Double:12
Rotors:9
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:510.584
H-Bond Donors:2
H-Bond Acceptors:6
XLogP:3.36
LogP (Chemaxon):3.49

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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