Chemical ID: 6843364

Cc1ccc(cc1)CN2c3ccccc3C(=NNC(=O)Cn4cnc5c(c4=O)c6c(s5)CC(CC6)C)C2=O
Chemical ID:
6843364
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)CN2c3ccccc3C(=NNC(=O)Cn4cnc5c(c4=O)c6c(s5)CC(CC6)C)C2=O
InChi [?]:
InChI=1/C29H27N5O3S/c1-17-7-10-19(11-8-17)14-34-22-6-4-3-5-20(22)26(29(34)37)32-31-24(35)15-33-16-30-27-25(28(33)36)21-12-9-18(2)13-23(21)38-27/h3-8,10-11,16,18H,9,12-15H2,1-2H3,(H,31,35)
InChi Info:
AuxInfo=1/1/N:1,36,13,12,14,11,3,7,34,4,6,35,32,8,21,23,2,33,5,15,29,10,30,19,26,16,25,27,37,24,18,17,22,9,20,28,38,31/E:(7,8)(10,11)/rA:38cCCCCCCCCNCCCCCCCNNCOCNCNCCCOCCSCCCCCCO/rB:s1;s2;d3;s4;d5;d2s6;s5;s8;s9;s10;d11;s12;d13;d10s14;s15;w16;s17;s18;d19;s19;s21;s22;d23;s24;d25;s22s26;d27;s26;d29;s25s30;s30;s32;s33;s29s34;s33;s9s16;d37;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C29H27N5O3S
All Atoms:65
Heavy Atoms:38
Chiral Atoms:1
ZAP Information [?]
Total:14.3491
Area:764.031
Solvation:-4.75167
Coulombic:-60.6894
Bond Count [?]
All:43
Single:30
Double:13
Rotors:6
Chiral:1
Rigid Segments:4
Chemical Properties
Molecular Weight:525.623
H-Bond Donors:1
H-Bond Acceptors:6
XLogP:3.96
LogP (Chemaxon):4.74

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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