(+)-N,N-diethyl-4-[{[(S)-(4-methylphenyl)sulfinyl]amino}(8-quinolinyl)methyl]-benzamide (HCID 69143830)

기본 정보

표준 SMILES: CCN(CC)C(=O)c1ccc(C(N[S@@](=O)c2ccc(C)cc2)c2cccc3cccnc23)cc1
InChIKey: AZSPELWPZMTOFK-YVFWDZQLSA-N
분자식: C28H29N3O2S
평균 분자량: 471.6 g/mol

이름 및 식별자

우선 이름: (+)-N,N-diethyl-4-[{[(S)-(4-methylphenyl)sulfinyl]amino}(8-quinolinyl)methyl]-benzamide
IUPAC: N,N-diethyl-4-[[[(S)-(4-methylphenyl)sulfinyl]amino]-quinolin-8-ylmethyl]benzamide

이름 및 동의어

(+)-N,N-diethyl-4-[([(S)-(4-methylphenyl)sulfinyl]amino}-(8-quinolinyl)methyl]-benzamide(+)-N,N-diethyl-4-[{[(S)-(4-methylphenyl)sulfinyl]amino}-(8-quinolinyl)methyl]-benzamideAZSPELWPZMTOFK-YVFWDZQLSA-N(+)-N,N-diethyl-4-[{[(S)-(4-methylphenyl)sulfinyl]amino}(8-quinolinyl)methyl]-benzamide

데이터베이스 식별자

PubChem CID: 69143830

물성

구조 계산 물성

XLogP: 5.5
극성 표면적: 81.5 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 5
회전 가능 결합 수: 8
무거운 원자 수: 34
형식 전하: 0
복잡도: 669

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