Chemical ID: 6238308

CCCCc1ccc(cc1)NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2c5cccc(c5)Cl
Chemical ID:
6238308
Name [?]:
None
SMILES [?]:
CCCCc1ccc(cc1)NC(=O)CSc2nc3c4ccccc4[nH]c3c(=O)n2c5cccc(c5)Cl
InChi [?]:
InChI=1/C28H25ClN4O2S/c1-2-3-7-18-12-14-20(15-13-18)30-24(34)17-36-28-32-25-22-10-4-5-11-23(22)31-26(25)27(35)33(28)21-9-6-8-19(29)16-21/h4-6,8-16,31H,2-3,7,17H2,1H3,(H,30,34)
InChi Info:
AuxInfo=1/1/N:1,2,3,21,22,32,4,33,31,20,23,6,10,7,9,35,14,5,34,8,30,19,24,12,18,26,27,16,36,11,25,17,29,13,28,15/E:(12,13)(14,15)/rA:36nCCCCCCCCCCNCOCSCNCCCCCCCNCCONCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s8;s11;d12;s12;s14;s15;d16;s17;s18;s19;d20;s21;d22;d19s23;s24;d18s25;s26;d27;s16s27;s29;s30;d31;s32;d33;d30s34;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H25ClN4O2S
All Atoms:36
Heavy Atoms:36
Chiral Atoms:0
ZAP Information [?]
Total:15.856
Area:775.279
Solvation:-3.52597
Coulombic:-58.3458
Bond Count [?]
All:40
Single:27
Double:13
Rotors:9
Chiral:0
Rigid Segments:7
Chemical Properties
Molecular Weight:517.043
H-Bond Donors:1
H-Bond Acceptors:3
XLogP:6.78
LogP (Chemaxon):7.59

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Descriptor Annotations

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