Chemical ID: 7081456

CCCOc1cccc(c1)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2c5nnc(s5)CC)C)C
Chemical ID:
7081456
Name [?]:
None
SMILES [?]:
CCCOc1cccc(c1)C2c3c(=O)c4cc(c(cc4oc3C(=O)N2c5nnc(s5)CC)C)C
InChi [?]:
InChI=1/C26H25N3O4S/c1-5-10-32-17-9-7-8-16(13-17)22-21-23(30)18-11-14(3)15(4)12-19(18)33-24(21)25(31)29(22)26-28-27-20(6-2)34-26/h7-9,11-13,22H,5-6,10H2,1-4H3
InChi Info:
AuxInfo=1/0/N:1,32,34,33,2,31,7,8,6,3,16,19,10,17,18,9,5,15,20,29,12,11,13,22,23,26,28,27,25,14,24,4,21,30/rA:34cCCCOCCCCCCCCCOCCCCCCOCCONCNNCSCCCC/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s9;s11;s12;d13;s13;s15;d16;s17;d18;d15s19;s20;d12s21;s22;d23;s11s23;s25;d26;s27;d28;s26s29;s29;s31;s18;s17;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C26H25N3O4S
All Atoms:59
Heavy Atoms:34
Chiral Atoms:1
ZAP Information [?]
Total:12.9436
Area:703.76
Solvation:-4.65038
Coulombic:-46.7175
Bond Count [?]
All:38
Single:27
Double:11
Rotors:6
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:475.561
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:5.32
LogP (Chemaxon):4.66

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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