Chemical ID: 4806444

CC1(Cc2c(sc3c2c(=O)n(nn3)Cc4ccc(cc4Cl)Cl)CO1)C
Chemical ID:
4806444
Name [?]:
None
SMILES [?]:
CC1(Cc2c(sc3c2c(=O)n(nn3)Cc4ccc(cc4Cl)Cl)CO1)C
InChi [?]:
InChI=1/C17H15Cl2N3O2S/c1-17(2)6-11-13(8-24-17)25-15-14(11)16(23)22(21-20-15)7-9-3-4-10(18)5-12(9)19/h3-5H,6-8H2,1-2H3
InChi Info:
AuxInfo=1/0/N:1,25,16,17,19,3,14,23,15,18,4,20,5,8,7,9,2,22,21,13,12,11,10,24,6/E:(1,2)/rA:25nCCCCCSCCCONNNCCCCCCCClClCOC/rB:s1;s2;s3;d4;s5;s6;s4d7;s8;d9;s9;s11;s7d12;s11;s14;s15;d16;s17;d18;d15s19;s20;s18;s5;s2s23;s2;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C17H15Cl2N3O2S
All Atoms:25
Heavy Atoms:25
Chiral Atoms:0
ZAP Information [?]
Total:10.874
Area:551.116
Solvation:-2.9039
Coulombic:-24.7955
Bond Count [?]
All:28
Single:21
Double:7
Rotors:2
Chiral:0
Rigid Segments:2
Chemical Properties
Molecular Weight:396.291
H-Bond Donors:0
H-Bond Acceptors:2
XLogP:3.13
LogP (Chemaxon):3.42

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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