Chemical ID: 7154869

Cc1ccn(n1)C(C)C(=O)Nn2c(nc3c(c2=O)c4c(s3)CC(CC4)C)C
Chemical ID:
7154869
Name [?]:
None
SMILES [?]:
Cc1ccn(n1)C(C)C(=O)Nn2c(nc3c(c2=O)c4c(s3)CC(CC4)C)C
InChi [?]:
InChI=1/C19H23N5O2S/c1-10-5-6-14-15(9-10)27-18-16(14)19(26)24(13(4)20-18)22-17(25)12(3)23-8-7-11(2)21-23/h7-8,10,12H,5-6,9H2,1-4H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:26,1,8,27,24,25,3,4,22,23,2,7,13,19,20,16,9,15,17,14,6,11,5,12,10,18,21/rA:27cCCCCNNCCCONNCNCCCOCCSCCCCCC/rB:s1;s2;d3;s4;d2s5;s5;s7;s7;d9;s9;s11;s12;d13;s14;d15;s12s16;d17;s16;d19;s15s20;s20;s22;s23;s19s24;s23;s13;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H23N5O2S
All Atoms:50
Heavy Atoms:27
Chiral Atoms:2
ZAP Information [?]
Total:10.1844
Area:584.103
Solvation:-4.41819
Coulombic:-39.8763
Bond Count [?]
All:30
Single:23
Double:7
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:385.484
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:2.09
LogP (Chemaxon):1.33

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Descriptor Annotations

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