Chemical ID: 4484046

Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nc(c(s4)C)C)c5cccc(c5)Br
Chemical ID:
4484046
Name [?]:
None
SMILES [?]:
Cc1cc2c(cc1C)oc3c(c2=O)C(N(C3=O)c4nc(c(s4)C)C)c5cccc(c5)Br
InChi [?]:
InChI=1/C24H19BrN2O3S/c1-11-8-17-18(9-12(11)2)30-22-19(21(17)28)20(15-6-5-7-16(25)10-15)27(23(22)29)24-26-13(3)14(4)31-24/h5-10,20H,1-4H3
InChi Info:
AuxInfo=1/0/N:1,8,24,23,27,26,28,3,6,30,2,7,20,21,25,29,4,5,11,14,12,10,16,18,31,19,15,13,17,9,22/rA:31cCCCCCCCCOCCCOCNCOCNCCSCCCCCCCCBr/rB:s1;s2;d3;s4;d5;d2s6;s7;s5;s9;d10;s4s11;d12;s11;s14;s10s15;d16;s15;d18;s19;d20;s18s21;s21;s20;s14;s25;d26;s27;d28;d25s29;s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C24H19BrN2O3S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:12.7237
Area:639.888
Solvation:-3.27347
Coulombic:-40.5877
Bond Count [?]
All:35
Single:24
Double:11
Rotors:2
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:495.389
H-Bond Donors:0
H-Bond Acceptors:3
XLogP:4.63
LogP (Chemaxon):5.49

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Descriptor Annotations

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