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Chemical ID: 7041823
Chemical ID:
7041823
Name [?]:
None
SMILES [?]:
Cc1c(sc(n1)N2C(c3c(=O)c4ccccc4oc3C2=O)c5cccnc5)C
InChi [?]:
InChI=1/C21H15N3O3S/c1-11-12(2)28-21(23-11)24-17(13-6-5-9-22-10-13)16-18(25)14-7-3-4-8-15(14)27-19(16)20(24)26/h3-10,17H,1-2H3
InChi Info:
AuxInfo=1/0/N:1,28,14,15,24,23,13,16,25,27,2,3,22,12,17,9,8,10,19,20,5,26,6,7,11,21,18,4/rA:28cCCCSCNNCCCOCCCCCCOCCOCCCCNCC/rB:s1;d2;s3;s4;s2d5;s5;s7;s8;s9;d10;s10;s12;d13;s14;d15;d12s16;s17;d9s18;s7s19;d20;s8;s22;d23;s24;d25;d22s26;s3;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;
Chemical Details
Atom Count
Formula: | C21H15N3O3S |
All Atoms: | 43 |
Heavy Atoms: | 28 |
Chiral Atoms: | 1 |
ZAP Information [?]
Total: | 10.0806 |
Area: | 562.931 |
Solvation: | -3.99272 |
Coulombic: | -43.8081 |
Bond Count [?]
All: | 32 |
Single: | 21 |
Double: | 11 |
Rotors: | 2 |
Chiral: | 0 |
Rigid Segments: | 3 |
Chemical Properties
Molecular Weight: | 389.428 |
H-Bond Donors: | 0 |
H-Bond Acceptors: | 3 |
XLogP: | 1.71 |
LogP (Chemaxon): | 2.45 |
Name Annotations
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Experimental Annotations
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Descriptor Annotations
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