Chemical ID: 4805756

CCCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3Cc6ccccc6Cl
Chemical ID:
4805756
Name [?]:
None
SMILES [?]:
CCCN1c2ccccc2C3(C1=O)c4c(=O)c5ccccc5oc4C(=O)N3Cc6ccccc6Cl
InChi [?]:
InChI=1/C28H21ClN2O4/c1-2-15-30-21-13-7-5-11-19(21)28(27(30)34)23-24(32)18-10-4-8-14-22(18)35-25(23)26(33)31(28)16-17-9-3-6-12-20(17)29/h3-14H,2,15-16H2,1H3
InChi Info:
AuxInfo=1/0/N:1,2,31,19,8,32,7,20,30,18,9,33,6,21,3,28,29,17,10,34,5,22,14,15,24,25,12,11,35,4,27,16,26,13,23/rA:35cCCCNCCCCCCCCOCCOCCCCCCOCCONCCCCCCCCl/rB:s1;s2;s3;s4;s5;d6;s7;d8;d5s9;s10;s4s11;d12;s11;s14;d15;s15;s17;d18;s19;d20;d17s21;s22;d14s23;s24;d25;s11s25;s27;s28;s29;d30;s31;d32;d29s33;s34;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C28H21ClN2O4
All Atoms:35
Heavy Atoms:35
Chiral Atoms:1
ZAP Information [?]
Total:11.6674
Area:622.114
Solvation:-3.8855
Coulombic:-54.3431
Bond Count [?]
All:40
Single:27
Double:13
Rotors:4
Chiral:0
Rigid Segments:3
Chemical Properties
Molecular Weight:484.93
H-Bond Donors:0
H-Bond Acceptors:5
XLogP:4.65
LogP (Chemaxon):4.57

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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