Chemical ID: 4554335

C=CCN1C(=O)C2Cc3c4ccccc4[nH]c3C(N2C1=S)c5ccc6c(c5)OCO6
Chemical ID:
4554335
Name [?]:
None
SMILES [?]:
C=CCN1C(=O)C2Cc3c4ccccc4[nH]c3C(N2C1=S)c5ccc6c(c5)OCO6
InChi [?]:
InChI=1/C23H19N3O3S/c1-2-9-25-22(27)17-11-15-14-5-3-4-6-16(14)24-20(15)21(26(17)23(25)30)13-7-8-18-19(10-13)29-12-28-18/h2-8,10,17,21,24H,1,9,11-12H2
InChi Info:
AuxInfo=1/0/N:1,2,12,13,11,14,23,24,3,27,8,29,22,10,9,15,7,25,26,17,18,5,20,16,4,19,6,30,28,21/rA:30cCCCNCOCCCCCCCCCNCCNCSCCCCCCOCO/rB:d1;s2;s3;s4;d5;s5;s7;s8;s9;s10;d11;s12;d13;d10s14;s15;d9s16;s17;s7s18;s4s19;d20;s18;s22;d23;s24;d25;d22s26;s26;s28;s25s29;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C23H19N3O3S
All Atoms:30
Heavy Atoms:30
Chiral Atoms:2
ZAP Information [?]
Total:11.068
Area:599.43
Solvation:-3.91775
Coulombic:-55.1019
Bond Count [?]
All:35
Single:25
Double:10
Rotors:3
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:417.481
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:3.59
LogP (Chemaxon):4.27

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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