Chemical ID: 6844271

Cc1cc(c(c(c1)C)NC(=O)Cn2c(=O)c3c4c(sc3nn2)CC(CC4)C)C
Chemical ID:
6844271
Name [?]:
None
SMILES [?]:
Cc1cc(c(c(c1)C)NC(=O)Cn2c(=O)c3c4c(sc3nn2)CC(CC4)C)C
InChi [?]:
InChI=1/C21H24N4O2S/c1-11-5-6-15-16(9-11)28-20-18(15)21(27)25(24-23-20)10-17(26)22-19-13(3)7-12(2)8-14(19)4/h7-8,11H,5-6,9-10H2,1-4H3,(H,22,26)
InChi Info:
AuxInfo=1/1/N:27,1,8,28,25,26,7,3,23,12,24,2,6,4,17,18,10,16,5,20,14,9,21,22,13,11,15,19/E:(3,4)(7,8)(13,14)/rA:28cCCCCCCCCNCOCNCOCCCSCNNCCCCCC/rB:s1;s2;d3;s4;d5;d2s6;s6;s5;s9;d10;s10;s12;s13;d14;s14;s16;d17;s18;d16s19;s20;s13d21;s18;s23;s24;s17s25;s24;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H24N4O2S
All Atoms:52
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:11.7756
Area:598.951
Solvation:-3.19816
Coulombic:-35.5695
Bond Count [?]
All:31
Single:23
Double:8
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:396.507
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.71
LogP (Chemaxon):2.99

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Descriptor Annotations

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