Chemical ID: 7041810

CN(C)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nccs5
Chemical ID:
7041810
Name [?]:
None
SMILES [?]:
CN(C)c1ccc(cc1)C2c3c(=O)c4ccccc4oc3C(=O)N2c5nccs5
InChi [?]:
InChI=1/C22H17N3O3S/c1-24(2)14-9-7-13(8-10-14)18-17-19(26)15-5-3-4-6-16(15)28-20(17)21(27)25(18)22-23-11-12-29-22/h3-12,18H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,3,16,17,15,18,6,8,5,9,27,28,7,4,14,19,11,10,12,21,22,25,26,2,24,13,23,20,29/E:(1,2)(7,8)(9,10)/rA:29cCNCCCCCCCCCCOCCCCCCOCCONCNCCS/rB:s1;s2;s2;s4;d5;s6;d7;d4s8;s7;s10;s11;d12;s12;s14;d15;s16;d17;d14s18;s19;d11s20;s21;d22;s10s22;s24;d25;s26;d27;s25s28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C22H17N3O3S
All Atoms:46
Heavy Atoms:29
Chiral Atoms:1
ZAP Information [?]
Total:10.5864
Area:585.709
Solvation:-4.05631
Coulombic:-46.36
Bond Count [?]
All:33
Single:22
Double:11
Rotors:3
Chiral:0
Rigid Segments:4
Chemical Properties
Molecular Weight:403.455
H-Bond Donors:0
H-Bond Acceptors:4
XLogP:2.77
LogP (Chemaxon):3.86

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Descriptor Annotations

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