Chemical ID: 3855577

Cc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCC4)CC(=O)N5CCCCC5
Chemical ID:
3855577
Name [?]:
None
SMILES [?]:
Cc1ccc(cc1)C2=NCC(=O)N(c3c2c4c(s3)CCC4)CC(=O)N5CCCCC5
InChi [?]:
InChI=1/C24H27N3O2S/c1-16-8-10-17(11-9-16)23-22-18-6-5-7-19(18)30-24(22)27(20(28)14-25-23)15-21(29)26-12-3-2-4-13-26/h8-11H,2-7,12-15H2,1H3
InChi Info:
AuxInfo=1/0/N:1,28,27,29,20,21,19,3,7,4,6,26,30,10,22,2,5,16,17,11,23,15,8,14,9,25,13,12,24,18/E:(3,4)(8,9)(10,11)(12,13)/rA:30nCCCCCCCCNCCONCCCCSCCCCCONCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s5;d8;s9;s10;d11;s11;s13;s8d14;s15;d16;s14s17;s17;s19;s16s20;s13;s22;d23;s23;s25;s26;s27;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H27N3O2S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:0
ZAP Information [?]
Total:11.7698
Area:613.764
Solvation:-3.5743
Coulombic:-39.556
Bond Count [?]
All:34
Single:26
Double:8
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:421.556
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:2.06
LogP (Chemaxon):2.87

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Descriptor Annotations

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