Chemical ID: 4894138

CCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nnc(s5)C)C
Chemical ID:
4894138
Name [?]:
None
SMILES [?]:
CCOc1cccc(c1)C2c3c(=O)c4cc(ccc4oc3C(=O)N2c5nnc(s5)C)C
InChi [?]:
InChI=1/C23H19N3O4S/c1-4-29-15-7-5-6-14(11-15)19-18-20(27)16-10-12(2)8-9-17(16)30-21(18)22(28)26(19)23-25-24-13(3)31-23/h5-11,19H,4H2,1-3H3
InChi Info:
AuxInfo=1/0/N:1,31,30,2,6,7,5,17,18,15,9,16,28,8,4,14,19,11,10,12,21,22,25,27,26,24,13,23,3,20,29/rA:31cCCOCCCCCCCCCOCCCCCCOCCONCNNCSCC/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s8;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;d25;s26;d27;s25s28;s28;s16;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19N3O4S
All Atoms:31
Heavy Atoms:31
Chiral Atoms:1
ZAP Information [?]
Total:11.1482
Area:635.743
Solvation:-4.74533
Coulombic:-45.8966
Bond Count [?]
All:35
Single:24
Double:11
Rotors:4
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:433.481
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:4.27
LogP (Chemaxon):3.1

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Experimental Annotations

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Descriptor Annotations

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