Chemical ID: 5507363

CCn1c2ccccc2c3c1ccc(c3)NC(=O)CSC(=S)N4C(=O)CCC4=O
Chemical ID:
5507363
Name [?]:
2-(2,5-dioxopyrrolidin-1-yl)carbothioylsulfanyl-N-(9-ethylcarbazol-3-yl)-acetamide
SMILES [?]:
CCn1c2ccccc2c3c1ccc(c3)NC(=O)CSC(=S)N4C(=O)CCC4=O
InChi [?]:
InChI=1/C21H19N3O3S2/c1-2-23-16-6-4-3-5-14(16)15-11-13(7-8-17(15)23)22-18(25)12-29-21(28)24-19(26)9-10-20(24)27/h3-8,11H,2,9-10,12H2,1H3,(H,22,25)
InChi Info:
AuxInfo=1/1/N:1,2,7,6,8,5,13,12,26,27,15,19,14,9,10,4,11,17,24,28,21,16,3,23,18,25,29,22,20/E:(9,10)(19,20)(26,27)/rA:29nCCNCCCCCCCCCCCCNCOCSCSNCOCCCO/rB:s1;s2;s3;s4;d5;s6;d7;d4s8;s9;s3s10;d11;s12;d13;d10s14;s14;s16;d17;s17;s19;s20;d21;s21;s23;d24;s24;s26;s23s27;d28;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C21H19N3O3S2
All Atoms:29
Heavy Atoms:29
Chiral Atoms:0
ZAP Information [?]
Total:10.2448
Area:627.577
Solvation:-5.44458
Coulombic:-48.2166
Bond Count [?]
All:32
Single:22
Double:10
Rotors:7
Chiral:0
Rigid Segments:6
Chemical Properties
Molecular Weight:425.526
H-Bond Donors:1
H-Bond Acceptors:5
XLogP:2.52
LogP (Chemaxon):4.09

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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