Chemical ID: 7041838

CCCCCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nc(c(s5)C)C
Chemical ID:
7041838
Name [?]:
None
SMILES [?]:
CCCCCOc1cccc(c1)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nc(c(s5)C)C
InChi [?]:
InChI=1/C27H26N2O4S/c1-4-5-8-14-32-19-11-9-10-18(15-19)23-22-24(30)20-12-6-7-13-21(20)33-25(22)26(31)29(23)27-28-16(2)17(3)34-27/h6-7,9-13,15,23H,4-5,8,14H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,34,33,2,3,19,20,4,9,10,8,18,21,5,12,30,31,11,7,17,22,14,13,15,24,25,28,29,27,16,26,6,23,32/rA:34cCCCCCOCCCCCCCCCOCCCCCCOCCONCNCCSCC/rB:s1;s2;s3;s4;s5;s6;s7;d8;s9;d10;d7s11;s11;s13;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s13s25;s27;d28;s29;d30;s28s31;s31;s30;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C27H26N2O4S
All Atoms:60
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:13.1565
Area:712.017
Solvation:-4.64395
Coulombic:-48.6646
Bond Count [?]
All:38
Single:27
Double:11
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:474.572
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.79
LogP (Chemaxon):5.12

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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