Chemical ID: 7194329

CCCc1nnc(s1)NC(=O)c2ccc(cc2)N3C(=O)C4C5CC(C4C3=O)C=C5
Chemical ID:
7194329
Name [?]:
None
SMILES [?]:
CCCc1nnc(s1)NC(=O)c2ccc(cc2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChi [?]:
InChI=1/C21H20N4O3S/c1-2-3-15-23-24-21(29-15)22-18(26)11-6-8-14(9-7-11)25-19(27)16-12-4-5-13(10-12)17(16)20(25)28/h4-9,12-13,16-17H,2-3,10H2,1H3,(H,22,24,26)
InChi Info:
AuxInfo=1/1/N:1,2,3,28,29,13,17,14,16,23,12,24,22,15,4,25,21,10,26,19,7,9,5,6,18,11,27,20,8/E:(4,5)(6,7)(8,9)(12,13)(16,17)(19,20)(27,28)/rA:29cCCCCNNCSNCOCCCCCCNCOCCCCCCOCC/rB:s1;s2;s3;d4;s5;d6;s4s7;s7;s9;d10;s10;s12;d13;s14;d15;d12s16;s15;s18;d19;s19;s21;s22;s23;s21s24;s18s25;d26;s24;s22d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H20N4O3S
All Atoms:49
Heavy Atoms:29
Chiral Atoms:4
ZAP Information [?]
Total:10.9912
Area:623.482
Solvation:-4.59582
Coulombic:-49.4631
Bond Count [?]
All:33
Single:24
Double:9
Rotors:6
Chiral:0
Rigid Segments:5
Chemical Properties
Molecular Weight:408.475
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:3.01
LogP (Chemaxon):2.05

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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